N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride

C7H15ClN4O2S — CID 120713110

IUPACN-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
SMILESC[C@@H](CN)NS(=O)(=O)c1ccnn1C.Cl
InChIInChI=1S/C7H14N4O2S.ClH/c1-6(5-8)10-14(12,13)7-3-4-9-11(7)2;/h3-4,6,10H,5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyBAOCOYDWLFTOAX-RGMNGODLSA-N
MW254.74 g/mol
LogP-0.53
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride (PubChem CID 120713110) has the molecular formula C7H15ClN4O2S and a molecular weight of 254.74 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
PubChem CID120713110
Molecular FormulaC7H15ClN4O2S
Molecular Weight254.74 g/mol
Exact Mass254.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
SMILESC[C@@H](CN)NS(=O)(=O)c1ccnn1C.Cl
InChIInChI=1S/C7H14N4O2S.ClH/c1-6(5-8)10-14(12,13)7-3-4-9-11(7)2;/h3-4,6,10H,5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyBAOCOYDWLFTOAX-RGMNGODLSA-N
XLogP-0.53
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride (CID 120713110) is N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride is C[C@@H](CN)NS(=O)(=O)c1ccnn1C.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride?
The InChIKey is BAOCOYDWLFTOAX-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N4O2S.ClH/c1-6(5-8)10-14(12,13)7-3-4-9-11(7)2;/h3-4,6,10H,5,8H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride has a molecular weight of 254.74 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120713110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).