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

C16H24ClFN2O3S — CID 119565593

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1(CN)CCCC1)S(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H23FN2O3S.ClH/c1-12(23(21,22)14-6-4-13(17)5-7-14)10-15(20)19-16(11-18)8-2-3-9-16;/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20);1H
InChIKeyYHAPLJUWSKWWPO-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.19
Rot. Bonds6

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

N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride (PubChem CID 119565593) has the molecular formula C16H24ClFN2O3S and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
PubChem CID119565593
Molecular FormulaC16H24ClFN2O3S
Molecular Weight378.90 g/mol
Exact Mass378.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1(CN)CCCC1)S(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H23FN2O3S.ClH/c1-12(23(21,22)14-6-4-13(17)5-7-14)10-15(20)19-16(11-18)8-2-3-9-16;/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20);1H
InChIKeyYHAPLJUWSKWWPO-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119564864
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119475342
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one;hydrochloride
CID 120803920
N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119567108
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119565114
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
CID 119566665
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119566852
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119566064

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride (CID 119565593) is N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride is CC(CC(=O)NC1(CN)CCCC1)S(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
The InChIKey is YHAPLJUWSKWWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S.ClH/c1-12(23(21,22)14-6-4-13(17)5-7-14)10-15(20)19-16(11-18)8-2-3-9-16;/h4-7,12H,2-3,8-11,18H2,1H3,(H,19,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119565593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).