N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide

C9H18N4O2S — CID 104709354

IUPACN-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCN
InChIInChI=1S/C9H18N4O2S/c1-13-9(5-8-11-13)16(14,15)12-7-4-2-3-6-10/h5,8,12H,2-4,6-7,10H2,1H3
InChIKeyMAPVEXWUDNNIAY-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.17
Rot. Bonds7

About N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide

N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104709354) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
PubChem CID104709354
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCN
InChIInChI=1S/C9H18N4O2S/c1-13-9(5-8-11-13)16(14,15)12-7-4-2-3-6-10/h5,8,12H,2-4,6-7,10H2,1H3
InChIKeyMAPVEXWUDNNIAY-UHFFFAOYSA-N
XLogP-0.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065
N-(4-bromopentyl)-2-methylpyrazole-3-sulfonamide
CID 106135642
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide (CID 104709354) is N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is MAPVEXWUDNNIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-13-9(5-8-11-13)16(14,15)12-7-4-2-3-6-10/h5,8,12H,2-4,6-7,10H2,1H3.
What are the key properties of N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide?
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).