N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

C12H22ClN5O3S — CID 119602098

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(=O)NC2CCCC2CN)cn1
InChIInChI=1S/C12H21N5O3S.ClH/c1-17-8-10(6-14-17)21(19,20)15-7-12(18)16-11-4-2-3-9(11)5-13;/h6,8-9,11,15H,2-5,7,13H2,1H3,(H,16,18);1H
InChIKeyNRMPIVNJGIXCIC-UHFFFAOYSA-N
MW351.86 g/mol
LogP-0.64
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (PubChem CID 119602098) has the molecular formula C12H22ClN5O3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
PubChem CID119602098
Molecular FormulaC12H22ClN5O3S
Molecular Weight351.86 g/mol
Exact Mass351.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(=O)NC2CCCC2CN)cn1
InChIInChI=1S/C12H21N5O3S.ClH/c1-17-8-10(6-14-17)21(19,20)15-7-12(18)16-11-4-2-3-9(11)5-13;/h6,8-9,11,15H,2-5,7,13H2,1H3,(H,16,18);1H
InChIKeyNRMPIVNJGIXCIC-UHFFFAOYSA-N
XLogP-0.64
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119604012
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 56829180
N-[2-(aminomethyl)cyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119612221
N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711102
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
CID 119348503
N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 120830262
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43568411
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (CID 119602098) is N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NCC(=O)NC2CCCC2CN)cn1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The InChIKey is NRMPIVNJGIXCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S.ClH/c1-17-8-10(6-14-17)21(19,20)15-7-12(18)16-11-4-2-3-9(11)5-13;/h6,8-9,11,15H,2-5,7,13H2,1H3,(H,16,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119602098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).