N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride

C15H26ClN3O3S — CID 119465624

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
SMILESCCCC(C)CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-3-5-12(2)10-15(19)18-13-6-4-7-14(11-13)22(20,21)17-9-8-16;/h4,6-7,11-12,17H,3,5,8-10,16H2,1-2H3,(H,18,19);1H
InChIKeyCXVXZOJCOQUKRR-UHFFFAOYSA-N
MW363.91 g/mol
LogP2.11
Rot. Bonds9

About N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride (PubChem CID 119465624) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
PubChem CID119465624
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
SMILESCCCC(C)CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-3-5-12(2)10-15(19)18-13-6-4-7-14(11-13)22(20,21)17-9-8-16;/h4,6-7,11-12,17H,3,5,8-10,16H2,1-2H3,(H,18,19);1H
InChIKeyCXVXZOJCOQUKRR-UHFFFAOYSA-N
XLogP2.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
CID 119465681
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride (CID 119465624) is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride is CCCC(C)CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride?
The InChIKey is CXVXZOJCOQUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-3-5-12(2)10-15(19)18-13-6-4-7-14(11-13)22(20,21)17-9-8-16;/h4,6-7,11-12,17H,3,5,8-10,16H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride is sourced from PubChem (CID 119465624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).