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

C20H32N2O3S — CID 130310365

IUPACN-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1
InChIInChI=1S/C20H32N2O3S/c1-15-6-3-4-7-18(15)16-9-11-17(12-10-16)25-14-20-19(8-5-13-21-20)22-26(2,23)24/h3-4,6-7,16-17,19-22H,5,8-14H2,1-2H3/t16?,17?,19-,20-/m0/s1
InChIKeyFAZZKRDKUCQYGV-WXDAQCLHSA-N
MW380.55 g/mol
LogP2.71
Rot. Bonds6

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

N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 130310365) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID130310365
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1
InChIInChI=1S/C20H32N2O3S/c1-15-6-3-4-7-18(15)16-9-11-17(12-10-16)25-14-20-19(8-5-13-21-20)22-26(2,23)24/h3-4,6-7,16-17,19-22H,5,8-14H2,1-2H3/t16?,17?,19-,20-/m0/s1
InChIKeyFAZZKRDKUCQYGV-WXDAQCLHSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 52.71
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-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide (CID 130310365) is N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is Cc1ccccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(C)(=O)=O)CC1.
What is the InChIKey of N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is FAZZKRDKUCQYGV-WXDAQCLHSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-15-6-3-4-7-18(15)16-9-11-17(12-10-16)25-14-20-19(8-5-13-21-20)22-26(2,23)24/h3-4,6-7,16-17,19-22H,5,8-14H2,1-2H3/t16?,17?,19-,20-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[(2R,3S)-2-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 380.55 g/mol, XLogP of 2.71, 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-(2-methylphenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 130310365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).