(2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide

C15H24N2O3S — CID 97331975

IUPAC(2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-13(2)12-21(18,19)16-14-5-4-6-15(11-14)17-7-9-20-10-8-17/h4-6,11,13,16H,3,7-10,12H2,1-2H3/t13-/m1/s1
InChIKeyYGWBXXLEZBMVHV-CYBMUJFWSA-N
MW312.43 g/mol
LogP2.31
Rot. Bonds6

About (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide

(2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide (PubChem CID 97331975) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide
PubChem CID97331975
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name(2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-13(2)12-21(18,19)16-14-5-4-6-15(11-14)17-7-9-20-10-8-17/h4-6,11,13,16H,3,7-10,12H2,1-2H3/t13-/m1/s1
InChIKeyYGWBXXLEZBMVHV-CYBMUJFWSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide
CID 110362407
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
4-methyl-3-[(3-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 51121483
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
N-[5-[(3-morpholin-4-ylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110362427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide?
The IUPAC name of (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide (CID 97331975) is (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide.
What is the SMILES notation for (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide?
The canonical SMILES for (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide is CC[C@@H](C)CS(=O)(=O)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide?
The InChIKey is YGWBXXLEZBMVHV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-13(2)12-21(18,19)16-14-5-4-6-15(11-14)17-7-9-20-10-8-17/h4-6,11,13,16H,3,7-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide?
(2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 97331975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).