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

C19H30N2O3S — CID 130310078

IUPACN-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-25(22,23)21-18-8-5-13-20-19(18)14-24-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,16-21H,5,8-14H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKeyGWXIWAAZEKCXMJ-BTRQGYIVSA-N
MW366.53 g/mol
LogP2.40
Rot. Bonds6

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

N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 130310078) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID130310078
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-25(22,23)21-18-8-5-13-20-19(18)14-24-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,16-21H,5,8-14H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKeyGWXIWAAZEKCXMJ-BTRQGYIVSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.40
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-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide (CID 130310078) is N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is GWXIWAAZEKCXMJ-BTRQGYIVSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-25(22,23)21-18-8-5-13-20-19(18)14-24-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,16-21H,5,8-14H2,1H3/t16?,17?,18-,19-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.40, 6 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-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 130310078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).