N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide

C16H30N2O3S — CID 95949202

IUPACN-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1
InChIInChI=1S/C16H30N2O3S/c1-12(2)13-7-9-18(10-8-13)16(19)17-14-5-4-6-15(11-14)22(3,20)21/h12-15H,4-11H2,1-3H3,(H,17,19)/t14-,15+/m0/s1
InChIKeyNWMKCIUJNKSWKD-LSDHHAIUSA-N
MW330.49 g/mol
LogP2.42
Rot. Bonds3

About N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide

N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 95949202) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID95949202
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1
InChIInChI=1S/C16H30N2O3S/c1-12(2)13-7-9-18(10-8-13)16(19)17-14-5-4-6-15(11-14)22(3,20)21/h12-15H,4-11H2,1-3H3,(H,17,19)/t14-,15+/m0/s1
InChIKeyNWMKCIUJNKSWKD-LSDHHAIUSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 146393563
N-(3-ethylcyclohexyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111455996
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
N-(4-methylpent-1-yn-3-yl)-3-methylsulfonylcyclohexan-1-amine
CID 114202259
3-(1-aminoethyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 103975960
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496
N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
CID 71868246
N-cyclopentyl-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38287363
1-[(1S,2R)-2-ethylcyclohexyl]-3-[(1R,3R)-3-methylsulfonylcyclohexyl]urea
CID 100852482

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide (CID 95949202) is N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1.
What is the InChIKey of N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is NWMKCIUJNKSWKD-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-12(2)13-7-9-18(10-8-13)16(19)17-14-5-4-6-15(11-14)22(3,20)21/h12-15H,4-11H2,1-3H3,(H,17,19)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide?
N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 95949202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).