N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide

C9H18N4O2S — CID 104709300

IUPACN-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-3-4-8(7-10)12-16(14,15)9-5-6-11-13(9)2/h5-6,8,12H,3-4,7,10H2,1-2H3
InChIKeyYQWROGPSUSCONQ-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.17
Rot. Bonds6

About N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide

N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104709300) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
PubChem CID104709300
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-3-4-8(7-10)12-16(14,15)9-5-6-11-13(9)2/h5-6,8,12H,3-4,7,10H2,1-2H3
InChIKeyYQWROGPSUSCONQ-UHFFFAOYSA-N
XLogP-0.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 65193019
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051
(2S)-5-ethoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039415
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide (CID 104709300) is N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide is CCCC(CN)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is YQWROGPSUSCONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-4-8(7-10)12-16(14,15)9-5-6-11-13(9)2/h5-6,8,12H,3-4,7,10H2,1-2H3.
What are the key properties of N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide?
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).