2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide

C13H21N3O3S — CID 60854034

IUPAC2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C13H21N3O3S/c1-3-4-8-12(14)13(17)16-10-6-5-7-11(9-10)20(18,19)15-2/h5-7,9,12,15H,3-4,8,14H2,1-2H3,(H,16,17)
InChIKeyMANANNMUKIQHJS-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds7

About 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide

2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide (PubChem CID 60854034) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
PubChem CID60854034
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C13H21N3O3S/c1-3-4-8-12(14)13(17)16-10-6-5-7-11(9-10)20(18,19)15-2/h5-7,9,12,15H,3-4,8,14H2,1-2H3,(H,16,17)
InChIKeyMANANNMUKIQHJS-UHFFFAOYSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119293956
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
CID 119315948
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
2-amino-N-(3-ethynylphenyl)hexanamide
CID 60852206
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide?
The IUPAC name of 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide (CID 60854034) is 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide.
What is the SMILES notation for 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide?
The canonical SMILES for 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide is CCCCC(N)C(=O)Nc1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide?
The InChIKey is MANANNMUKIQHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-4-8-12(14)13(17)16-10-6-5-7-11(9-10)20(18,19)15-2/h5-7,9,12,15H,3-4,8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide?
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide has a molecular weight of 299.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide is sourced from PubChem (CID 60854034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).