(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

C14H22N2O4S — CID 94022233

IUPAC(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H22N2O4S/c1-11(9-13-6-4-8-20-13)15-14(17)12-5-3-7-16(10-12)21(2,18)19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyKACMPWGZGLOGFX-NWDGAFQWSA-N
MW314.41 g/mol
LogP1.00
Rot. Bonds5

About (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 94022233) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID94022233
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H22N2O4S/c1-11(9-13-6-4-8-20-13)15-14(17)12-5-3-7-16(10-12)21(2,18)19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyKACMPWGZGLOGFX-NWDGAFQWSA-N
XLogP1.00
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-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

N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 32598215
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55614572
N-[1-(furan-2-yl)propan-2-yl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 20966138
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
N-(furan-2-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085733
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 95383461
N-(furan-2-ylmethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4095522
(3R)-1-methylsulfonyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95118836
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide
CID 124773963

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 94022233) is (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is KACMPWGZGLOGFX-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(9-13-6-4-8-20-13)15-14(17)12-5-3-7-16(10-12)21(2,18)19/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,15,17)/t11-,12+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94022233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).