N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

C15H30ClN5O3S — CID 119606795

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C15H29N5O3S.ClH/c1-9(2)15(6,8-16)17-14(21)11(4)19-24(22,23)13-10(3)18-20(7)12(13)5;/h9,11,19H,8,16H2,1-7H3,(H,17,21);1H
InChIKeyULDSUWWCZFOSIB-UHFFFAOYSA-N
MW395.96 g/mol
LogP0.62
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119606795) has the molecular formula C15H30ClN5O3S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
PubChem CID119606795
Molecular FormulaC15H30ClN5O3S
Molecular Weight395.96 g/mol
Exact Mass395.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C15H29N5O3S.ClH/c1-9(2)15(6,8-16)17-14(21)11(4)19-24(22,23)13-10(3)18-20(7)12(13)5;/h9,11,19H,8,16H2,1-7H3,(H,17,21);1H
InChIKeyULDSUWWCZFOSIB-UHFFFAOYSA-N
XLogP0.62
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
2-methyl-3-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119237110
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119985374
3,3-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43468132
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
CID 78820356
N-(6-amino-3-pyridinyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119515569
methyl 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoate
CID 43408373
2,2,2-trifluoroacetic acid;3-[2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]ethyldisulfanyl]propanoic acid
CID 166425017
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 119207278
N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119439527

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (CID 119606795) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is ULDSUWWCZFOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O3S.ClH/c1-9(2)15(6,8-16)17-14(21)11(4)19-24(22,23)13-10(3)18-20(7)12(13)5;/h9,11,19H,8,16H2,1-7H3,(H,17,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119606795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).