N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride

C15H24ClN3O3S — CID 119404968

IUPACN-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H23N3O3S.ClH/c16-10-1-11-17-15(19)9-4-12-2-7-14(8-3-12)22(20,21)18-13-5-6-13;/h2-3,7-8,13,18H,1,4-6,9-11,16H2,(H,17,19);1H
InChIKeyUBZPVERKHVYYOJ-UHFFFAOYSA-N
MW361.90 g/mol
LogP0.95
Rot. Bonds9

About N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride

N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119404968) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119404968
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C15H23N3O3S.ClH/c16-10-1-11-17-15(19)9-4-12-2-7-14(8-3-12)22(20,21)18-13-5-6-13;/h2-3,7-8,13,18H,1,4-6,9-11,16H2,(H,17,19);1H
InChIKeyUBZPVERKHVYYOJ-UHFFFAOYSA-N
XLogP0.95
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
N-(3-aminopropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119405466
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
1-N-(3-aminopropyl)-4-N-cyclopropylbenzene-1,4-disulfonamide
CID 119962220
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119404968) is N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride is Cl.NCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is UBZPVERKHVYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c16-10-1-11-17-15(19)9-4-12-2-7-14(8-3-12)22(20,21)18-13-5-6-13;/h2-3,7-8,13,18H,1,4-6,9-11,16H2,(H,17,19);1H.
What are the key properties of N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 0.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119404968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).