N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide

C15H28N2O3S2 — CID 98720693

IUPACN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H28N2O3S2/c1-12-7-13(2)9-17(8-12)5-4-16-15(18)10-21-14-3-6-22(19,20)11-14/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,13-,14+/m1/s1
InChIKeyHHRLVCCQEQAXKO-MCIONIFRSA-N
MW348.53 g/mol
LogP1.00
Rot. Bonds6

About N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide (PubChem CID 98720693) has the molecular formula C15H28N2O3S2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
PubChem CID98720693
Molecular FormulaC15H28N2O3S2
Molecular Weight348.53 g/mol
Exact Mass348.15
IUPAC NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H28N2O3S2/c1-12-7-13(2)9-17(8-12)5-4-16-15(18)10-21-14-3-6-22(19,20)11-14/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,13-,14+/m1/s1
InChIKeyHHRLVCCQEQAXKO-MCIONIFRSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide 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

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 96525545
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide
CID 94116441
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751648
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649699
N-[2-(4-chlorophenoxy)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 51923904
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79676127

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide (CID 98720693) is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The canonical SMILES for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide is C[C@@H]1C[C@@H](C)CN(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The InChIKey is HHRLVCCQEQAXKO-MCIONIFRSA-N. The full InChI is InChI=1S/C15H28N2O3S2/c1-12-7-13(2)9-17(8-12)5-4-16-15(18)10-21-14-3-6-22(19,20)11-14/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,13-,14+/m1/s1.
What are the key properties of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide has a molecular weight of 348.53 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide is sourced from PubChem (CID 98720693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).