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

C13H24ClN5O3S — CID 119568070

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10(12(19)16-13(9-14)5-3-4-6-13)17-22(20,21)11-7-15-18(2)8-11;/h7-8,10,17H,3-6,9,14H2,1-2H3,(H,16,19);1H
InChIKeyZBRZCKJNBZRDQQ-UHFFFAOYSA-N
MW365.89 g/mol
LogP-0.10
Rot. Bonds6

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

N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119568070) has the molecular formula C13H24ClN5O3S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
PubChem CID119568070
Molecular FormulaC13H24ClN5O3S
Molecular Weight365.89 g/mol
Exact Mass365.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H23N5O3S.ClH/c1-10(12(19)16-13(9-14)5-3-4-6-13)17-22(20,21)11-7-15-18(2)8-11;/h7-8,10,17H,3-6,9,14H2,1-2H3,(H,16,19);1H
InChIKeyZBRZCKJNBZRDQQ-UHFFFAOYSA-N
XLogP-0.10
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953
N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119643452
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119575571
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119469373
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
CID 119346265
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119567445
N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119440655
N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 65030778
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 71894825

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (CID 119568070) is N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is CC(NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is ZBRZCKJNBZRDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S.ClH/c1-10(12(19)16-13(9-14)5-3-4-6-13)17-22(20,21)11-7-15-18(2)8-11;/h7-8,10,17H,3-6,9,14H2,1-2H3,(H,16,19);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).