N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide

C14H20N2O4S — CID 94538564

IUPACN,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-10-4-5-12(21(18,19)15-3)8-13(10)14(17)16-6-7-20-11(2)9-16/h4-5,8,11,15H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyYTHXPKDGYDDZKW-NSHDSACASA-N
MW312.39 g/mol
LogP0.76
Rot. Bonds3

About N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide

N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide (PubChem CID 94538564) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
PubChem CID94538564
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-10-4-5-12(21(18,19)15-3)8-13(10)14(17)16-6-7-20-11(2)9-16/h4-5,8,11,15H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyYTHXPKDGYDDZKW-NSHDSACASA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 124606077
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
CID 119239991
(2-methyl-5-methylsulfanylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42942154
4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 34281083
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 24575619
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
(2,6-dimethylmorpholin-4-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 24982968
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide (CID 94538564) is N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCO[C@@H](C)C2)c1.
What is the InChIKey of N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide?
The InChIKey is YTHXPKDGYDDZKW-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-4-5-12(21(18,19)15-3)8-13(10)14(17)16-6-7-20-11(2)9-16/h4-5,8,11,15H,6-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide?
N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide is sourced from PubChem (CID 94538564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).