4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide

C19H30N2O3S — CID 95525246

IUPAC4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCO[C@@H](CC3CCCCC3)C2)cc1
InChIInChI=1S/C19H30N2O3S/c1-20-25(22,23)19-9-7-17(8-10-19)14-21-11-12-24-18(15-21)13-16-5-3-2-4-6-16/h7-10,16,18,20H,2-6,11-15H2,1H3/t18-/m0/s1
InChIKeyIXQGBTFCIHIGTO-SFHVURJKSA-N
MW366.53 g/mol
LogP2.77
Rot. Bonds6

About 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide

4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 95525246) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID95525246
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCO[C@@H](CC3CCCCC3)C2)cc1
InChIInChI=1S/C19H30N2O3S/c1-20-25(22,23)19-9-7-17(8-10-19)14-21-11-12-24-18(15-21)13-16-5-3-2-4-6-16/h7-10,16,18,20H,2-6,11-15H2,1H3/t18-/m0/s1
InChIKeyIXQGBTFCIHIGTO-SFHVURJKSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
CID 95525245
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
4-[[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 50982110
4-[[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 95715143
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
(2R)-2-(cyclohexylmethyl)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95486281
N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
CID 56876296
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
CID 81214018

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide (CID 95525246) is 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CN2CCO[C@@H](CC3CCCCC3)C2)cc1.
What is the InChIKey of 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is IXQGBTFCIHIGTO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-20-25(22,23)19-9-7-17(8-10-19)14-21-11-12-24-18(15-21)13-16-5-3-2-4-6-16/h7-10,16,18,20H,2-6,11-15H2,1H3/t18-/m0/s1.
What are the key properties of 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide?
4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 95525246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).