(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide

C12H22N2O3S — CID 129369662

IUPAC(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
SMILESC[C@]1(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCCNC1
InChIInChI=1S/C12H22N2O3S/c1-12(5-3-6-13-9-12)11(15)14-10-4-2-7-18(16,17)8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyFMWPRUMJPSBQBZ-JQWIXIFHSA-N
MW274.39 g/mol
LogP0.07
Rot. Bonds2

About (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide

(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide (PubChem CID 129369662) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
PubChem CID129369662
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
SMILESC[C@]1(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCCNC1
InChIInChI=1S/C12H22N2O3S/c1-12(5-3-6-13-9-12)11(15)14-10-4-2-7-18(16,17)8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyFMWPRUMJPSBQBZ-JQWIXIFHSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide 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

(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369661
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
CID 63135348
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide
CID 63924517
3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide
CID 103822117
3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 63130167
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943977
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944165

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide (CID 129369662) is (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide is C[C@]1(C(=O)N[C@H]2CCCS(=O)(=O)C2)CCCNC1.
What is the InChIKey of (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
The InChIKey is FMWPRUMJPSBQBZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-12(5-3-6-13-9-12)11(15)14-10-4-2-7-18(16,17)8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12-/m0/s1.
What are the key properties of (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 129369662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).