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

C14H22ClN3OS2 — CID 155035612

IUPAC(R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1c2nc(Cl)sc2CC12CCNCC2
InChIInChI=1S/C14H22ClN3OS2/c1-13(2,3)21(19)18-11-10-9(20-12(15)17-10)8-14(11)4-6-16-7-5-14/h11,16,18H,4-8H2,1-3H3/t11-,21-/m1/s1
InChIKeyIAJKMLHLBDCWAC-WSVYEEACSA-N
MW347.94 g/mol
LogP2.82
Rot. Bonds2

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

(R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155035612) has the molecular formula C14H22ClN3OS2 and a molecular weight of 347.94 g/mol. Its IUPAC name is (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID155035612
Molecular FormulaC14H22ClN3OS2
Molecular Weight347.94 g/mol
Exact Mass347.09
IUPAC Name(R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1c2nc(Cl)sc2CC12CCNCC2
InChIInChI=1S/C14H22ClN3OS2/c1-13(2,3)21(19)18-11-10-9(20-12(15)17-10)8-14(11)4-6-16-7-5-14/h11,16,18H,4-8H2,1-3H3/t11-,21-/m1/s1
InChIKeyIAJKMLHLBDCWAC-WSVYEEACSA-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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Related Compounds

tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
CID 175736614
tert-butyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142433927
(4S)-2-chloro-5-methyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146477444
(4S)-2-chloro-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146477616
(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146477722
(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146510516
(4S)-2-chloro-5-ethyl-5-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazol-4-amine
CID 146510875
(R)-2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 151205866
2-Chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 153548773
(R)-N-[(6S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 153560315
(4S)-4-(tert-butylsulfinylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 155089408
(4S)-4-(tert-butylsulfinylamino)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 155089444

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide (CID 155035612) is (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1c2nc(Cl)sc2CC12CCNCC2.
What is the InChIKey of (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is IAJKMLHLBDCWAC-WSVYEEACSA-N. The full InChI is InChI=1S/C14H22ClN3OS2/c1-13(2,3)21(19)18-11-10-9(20-12(15)17-10)8-14(11)4-6-16-7-5-14/h11,16,18H,4-8H2,1-3H3/t11-,21-/m1/s1.
What are the key properties of (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-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 (R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155035612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).