N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide

C12H24N2O3S — CID 104922367

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O3S/c1-10-6-4-5-9-14(10)18(16,17)13-11-7-2-3-8-12(11)15/h10-13,15H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyPAMWLJFHWNWDFD-PQDIPPBSSA-N
MW276.40 g/mol
LogP1.00
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 104922367) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide
PubChem CID104922367
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O3S/c1-10-6-4-5-9-14(10)18(16,17)13-11-7-2-3-8-12(11)15/h10-13,15H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyPAMWLJFHWNWDFD-PQDIPPBSSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide (CID 104922367) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is PAMWLJFHWNWDFD-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-6-4-5-9-14(10)18(16,17)13-11-7-2-3-8-12(11)15/h10-13,15H,2-9H2,1H3/t10?,11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104922367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).