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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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).