(R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide

C31H37N5OS3 — CID 146482669

IUPAC(R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
SMILESCCSc1ccccc1Sc1cnc(N2CCC3(Cc4ccccc4C3)C(N[S@](=O)C(C)(C)C)C2)n2ccnc12
InChIInChI=1S/C31H37N5OS3/c1-5-38-24-12-8-9-13-25(24)39-26-20-33-29(36-17-15-32-28(26)36)35-16-14-31(18-22-10-6-7-11-23(22)19-31)27(21-35)34-40(37)30(2,3)4/h6-13,15,17,20,27,34H,5,14,16,18-19,21H2,1-4H3/t27?,40-/m1/s1
InChIKeyKEQGZHHWJITVBN-VDMRNQKRSA-N
MW591.87 g/mol
LogP6.41
Rot. Bonds7

About (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide

(R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146482669) has the molecular formula C31H37N5OS3 and a molecular weight of 591.87 g/mol. Its IUPAC name is (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
PubChem CID146482669
Molecular FormulaC31H37N5OS3
Molecular Weight591.87 g/mol
Exact Mass591.22
IUPAC Name(R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
SMILESCCSc1ccccc1Sc1cnc(N2CCC3(Cc4ccccc4C3)C(N[S@](=O)C(C)(C)C)C2)n2ccnc12
InChIInChI=1S/C31H37N5OS3/c1-5-38-24-12-8-9-13-25(24)39-26-20-33-29(36-17-15-32-28(26)36)35-16-14-31(18-22-10-6-7-11-23(22)19-31)27(21-35)34-40(37)30(2,3)4/h6-13,15,17,20,27,34H,5,14,16,18-19,21H2,1-4H3/t27?,40-/m1/s1
InChIKeyKEQGZHHWJITVBN-VDMRNQKRSA-N
XLogP6.41
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.87
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-8-(8-(phenylthio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427570
(R)-8-(8-(naphthalen-1-ylthio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427691
US11179397, Example 140
CID 146466899
US11179397, Example 142
CID 146466941
US11179397, Example 143
CID 146466950
US11179397, Example 70
CID 146466953
US11179397, Example 141
CID 146466972
(R)-8-(8-((2-isopropylphenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 150171720
US12281118, Example 5
CID 146645545
US12281118, Example 2
CID 147837962
(R)-N-[8-[8-[2-amino-5-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-10-yl]-2-methylpropane-2-sulfinamide
CID 146482678
(R)-N-[(4R)-8-[8-[2-amino-5-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 146535876

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide (CID 146482669) is (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide is CCSc1ccccc1Sc1cnc(N2CCC3(Cc4ccccc4C3)C(N[S@](=O)C(C)(C)C)C2)n2ccnc12.
What is the InChIKey of (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is KEQGZHHWJITVBN-VDMRNQKRSA-N. The full InChI is InChI=1S/C31H37N5OS3/c1-5-38-24-12-8-9-13-25(24)39-26-20-33-29(36-17-15-32-28(26)36)35-16-14-31(18-22-10-6-7-11-23(22)19-31)27(21-35)34-40(37)30(2,3)4/h6-13,15,17,20,27,34H,5,14,16,18-19,21H2,1-4H3/t27?,40-/m1/s1.
What are the key properties of (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 591.87 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1'-[8-(2-ethylsulfanylphenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146482669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).