N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

C13H26ClN5O3S — CID 119658653

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C13H25N5O3S.ClH/c1-10(2)12(14)5-6-17(3)13(19)8-16-22(20,21)11-7-15-18(4)9-11;/h7,9-10,12,16H,5-6,8,14H2,1-4H3;1H
InChIKeyYYSRNCSSOXQDBL-UHFFFAOYSA-N
MW367.90 g/mol
LogP-0.05
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (PubChem CID 119658653) has the molecular formula C13H26ClN5O3S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
PubChem CID119658653
Molecular FormulaC13H26ClN5O3S
Molecular Weight367.90 g/mol
Exact Mass367.14
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C13H25N5O3S.ClH/c1-10(2)12(14)5-6-17(3)13(19)8-16-22(20,21)11-7-15-18(4)9-11;/h7,9-10,12,16H,5-6,8,14H2,1-4H3;1H
InChIKeyYYSRNCSSOXQDBL-UHFFFAOYSA-N
XLogP-0.05
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (CID 119658653) is N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CNS(=O)(=O)c1cnn(C)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The InChIKey is YYSRNCSSOXQDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S.ClH/c1-10(2)12(14)5-6-17(3)13(19)8-16-22(20,21)11-7-15-18(4)9-11;/h7,9-10,12,16H,5-6,8,14H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119658653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).