N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

C15H21ClF2N2O3S — CID 119566169

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F2N2O3S.ClH/c16-14(17)23(21,22)12-5-3-11(4-6-12)9-13(20)19-15(10-18)7-1-2-8-15;/h3-6,14H,1-2,7-10,18H2,(H,19,20);1H
InChIKeyOBBWEYCLTZEUCO-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.03
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (PubChem CID 119566169) has the molecular formula C15H21ClF2N2O3S and a molecular weight of 382.86 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
PubChem CID119566169
Molecular FormulaC15H21ClF2N2O3S
Molecular Weight382.86 g/mol
Exact Mass382.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F2N2O3S.ClH/c16-14(17)23(21,22)12-5-3-11(4-6-12)9-13(20)19-15(10-18)7-1-2-8-15;/h3-6,14H,1-2,7-10,18H2,(H,19,20);1H
InChIKeyOBBWEYCLTZEUCO-UHFFFAOYSA-N
XLogP2.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119565800
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119566852
N-[1-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119565593
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119568183
N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119610407
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
N-[1-(aminomethyl)cyclopentyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119564864
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119573606
2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
CID 119349957

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (CID 119566169) is N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is Cl.NCC1(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The InChIKey is OBBWEYCLTZEUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S.ClH/c16-14(17)23(21,22)12-5-3-11(4-6-12)9-13(20)19-15(10-18)7-1-2-8-15;/h3-6,14H,1-2,7-10,18H2,(H,19,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 2.03, 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]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119566169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).