N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride

C15H25ClFN3O3S — CID 119568695

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H24FN3O3S.ClH/c1-3-15(4-2,11-17)19-14(20)9-10-18-23(21,22)13-7-5-12(16)6-8-13;/h5-8,18H,3-4,9-11,17H2,1-2H3,(H,19,20);1H
InChIKeyVDINKGLZSYRVDK-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.55
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119568695) has the molecular formula C15H25ClFN3O3S and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119568695
Molecular FormulaC15H25ClFN3O3S
Molecular Weight381.90 g/mol
Exact Mass381.13
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H24FN3O3S.ClH/c1-3-15(4-2,11-17)19-14(20)9-10-18-23(21,22)13-7-5-12(16)6-8-13;/h5-8,18H,3-4,9-11,17H2,1-2H3,(H,19,20);1H
InChIKeyVDINKGLZSYRVDK-UHFFFAOYSA-N
XLogP1.55
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119564864
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 48503596
N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
CID 119571102
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide
CID 119981123

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride (CID 119568695) is N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is VDINKGLZSYRVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O3S.ClH/c1-3-15(4-2,11-17)19-14(20)9-10-18-23(21,22)13-7-5-12(16)6-8-13;/h5-8,18H,3-4,9-11,17H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119568695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).