N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride

C15H23ClFN3O3S — CID 119564864

IUPACN-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H22FN3O3S.ClH/c16-12-3-5-13(6-4-12)23(21,22)18-10-7-14(20)19-15(11-17)8-1-2-9-15;/h3-6,18H,1-2,7-11,17H2,(H,19,20);1H
InChIKeyINSPYJIHEBFGOK-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.30
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119564864) has the molecular formula C15H23ClFN3O3S and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119564864
Molecular FormulaC15H23ClFN3O3S
Molecular Weight379.89 g/mol
Exact Mass379.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H22FN3O3S.ClH/c16-12-3-5-13(6-4-12)23(21,22)18-10-7-14(20)19-15(11-17)8-1-2-9-15;/h3-6,18H,1-2,7-11,17H2,(H,19,20);1H
InChIKeyINSPYJIHEBFGOK-UHFFFAOYSA-N
XLogP1.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119567689
N-[1-(aminomethyl)cyclopentyl]-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119567663
N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119565593
N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119565883
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
N-[3-(aminomethyl)pentan-3-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119568695
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119566905
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride (CID 119564864) is N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride is Cl.NCC1(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is INSPYJIHEBFGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S.ClH/c16-12-3-5-13(6-4-12)23(21,22)18-10-7-14(20)19-15(11-17)8-1-2-9-15;/h3-6,18H,1-2,7-11,17H2,(H,19,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).