N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide

C14H28N2O3S — CID 130310192

IUPACN-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCC1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1
InChIInChI=1S/C14H28N2O3S/c1-11-5-7-12(8-6-11)19-10-14-13(4-3-9-15-14)16-20(2,17)18/h11-16H,3-10H2,1-2H3/t11?,12?,13-,14-/m0/s1
InChIKeyBWSCRMSCMGXQRN-HOAMVYINSA-N
MW304.46 g/mol
LogP1.25
Rot. Bonds5

About N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide

N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 130310192) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID130310192
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCC1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1
InChIInChI=1S/C14H28N2O3S/c1-11-5-7-12(8-6-11)19-10-14-13(4-3-9-15-14)16-20(2,17)18/h11-16H,3-10H2,1-2H3/t11?,12?,13-,14-/m0/s1
InChIKeyBWSCRMSCMGXQRN-HOAMVYINSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide (CID 130310192) is N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide is CC1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1.
What is the InChIKey of N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is BWSCRMSCMGXQRN-HOAMVYINSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-11-5-7-12(8-6-11)19-10-14-13(4-3-9-15-14)16-20(2,17)18/h11-16H,3-10H2,1-2H3/t11?,12?,13-,14-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[(4-methylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 130310192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).