(S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide

C14H22ClN3OS2 — CID 166465157

IUPAC(S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H]1c2sc(Cl)nc2CC12CCNCC2
InChIInChI=1S/C14H22ClN3OS2/c1-13(2,3)21(19)18-11-10-9(17-12(15)20-10)8-14(11)4-6-16-7-5-14/h11,16,18H,4-8H2,1-3H3/t11-,21-/m0/s1
InChIKeyFFUWHVAWJVPIJR-MQJDWESPSA-N
MW347.94 g/mol
LogP2.82
Rot. Bonds2

About (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide (PubChem CID 166465157) has the molecular formula C14H22ClN3OS2 and a molecular weight of 347.94 g/mol. Its IUPAC name is (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
PubChem CID166465157
Molecular FormulaC14H22ClN3OS2
Molecular Weight347.94 g/mol
Exact Mass347.09
IUPAC Name(S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H]1c2sc(Cl)nc2CC12CCNCC2
InChIInChI=1S/C14H22ClN3OS2/c1-13(2,3)21(19)18-11-10-9(17-12(15)20-10)8-14(11)4-6-16-7-5-14/h11,16,18H,4-8H2,1-3H3/t11-,21-/m0/s1
InChIKeyFFUWHVAWJVPIJR-MQJDWESPSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.94
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide (CID 166465157) is (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@H]1c2sc(Cl)nc2CC12CCNCC2.
What is the InChIKey of (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is FFUWHVAWJVPIJR-MQJDWESPSA-N. The full InChI is InChI=1S/C14H22ClN3OS2/c1-13(2,3)21(19)18-11-10-9(17-12(15)20-10)8-14(11)4-6-16-7-5-14/h11,16,18H,4-8H2,1-3H3/t11-,21-/m0/s1.
What are the key properties of (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 347.94 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166465157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).