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

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119660888
N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119660989
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-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 119525994
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 119657344
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
CID 119346265
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944

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).