N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

C13H26ClN5O3S — CID 119643452

IUPACN-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)NS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C13H25N5O3S.ClH/c1-5-13(14,6-2)9-15-12(19)10(3)17-22(20,21)11-7-16-18(4)8-11;/h7-8,10,17H,5-6,9,14H2,1-4H3,(H,15,19);1H
InChIKeyBXJSWCBNBLTMIL-UHFFFAOYSA-N
MW367.90 g/mol
LogP0.14
Rot. Bonds8

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

N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119643452) has the molecular formula C13H26ClN5O3S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
PubChem CID119643452
Molecular FormulaC13H26ClN5O3S
Molecular Weight367.90 g/mol
Exact Mass367.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)NS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C13H25N5O3S.ClH/c1-5-13(14,6-2)9-15-12(19)10(3)17-22(20,21)11-7-16-18(4)8-11;/h7-8,10,17H,5-6,9,14H2,1-4H3,(H,15,19);1H
InChIKeyBXJSWCBNBLTMIL-UHFFFAOYSA-N
XLogP0.14
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119568070
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,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
N-[2-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119440655
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
CID 119346265
N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119438590
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119469373
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150
N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119660888

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (CID 119643452) is N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is CCC(N)(CC)CNC(=O)C(C)NS(=O)(=O)c1cnn(C)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is BXJSWCBNBLTMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S.ClH/c1-5-13(14,6-2)9-15-12(19)10(3)17-22(20,21)11-7-16-18(4)8-11;/h7-8,10,17H,5-6,9,14H2,1-4H3,(H,15,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119643452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).