(3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H30N2O4S2 — CID 95875407

IUPAC(3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C19H30N2O4S2/c1-2-11-21(16-8-3-4-9-17(16)22)19(23)15-7-5-12-20(14-15)27(24,25)18-10-6-13-26-18/h6,10,13,15-17,22H,2-5,7-9,11-12,14H2,1H3/t15-,16-,17+/m1/s1
InChIKeyFDQNMRHLFKQKNC-ZACQAIPSSA-N
MW414.59 g/mol
LogP2.69
Rot. Bonds6

About (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 95875407) has the molecular formula C19H30N2O4S2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID95875407
Molecular FormulaC19H30N2O4S2
Molecular Weight414.59 g/mol
Exact Mass414.16
IUPAC Name(3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C19H30N2O4S2/c1-2-11-21(16-8-3-4-9-17(16)22)19(23)15-7-5-12-20(14-15)27(24,25)18-10-6-13-26-18/h6,10,13,15-17,22H,2-5,7-9,11-12,14H2,1H3/t15-,16-,17+/m1/s1
InChIKeyFDQNMRHLFKQKNC-ZACQAIPSSA-N
XLogP2.69
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-hydroxycyclohexyl)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 70703100
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55602177
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55447148
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55414873
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 95875407) is (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is FDQNMRHLFKQKNC-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H30N2O4S2/c1-2-11-21(16-8-3-4-9-17(16)22)19(23)15-7-5-12-20(14-15)27(24,25)18-10-6-13-26-18/h6,10,13,15-17,22H,2-5,7-9,11-12,14H2,1H3/t15-,16-,17+/m1/s1.
What are the key properties of (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95875407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).