4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide

C9H18N4O2S — CID 82881498

IUPAC4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)CCCCN)n1
InChIInChI=1S/C9H18N4O2S/c1-13-6-4-9(12-13)8-11-16(14,15)7-3-2-5-10/h4,6,11H,2-3,5,7-8,10H2,1H3
InChIKeyMFGSFCQTZFYKFE-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.42
Rot. Bonds7

About 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide

4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide (PubChem CID 82881498) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
PubChem CID82881498
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)CCCCN)n1
InChIInChI=1S/C9H18N4O2S/c1-13-6-4-9(12-13)8-11-16(14,15)7-3-2-5-10/h4,6,11H,2-3,5,7-8,10H2,1H3
InChIKeyMFGSFCQTZFYKFE-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
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-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
2-(4-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872802
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 80682072
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide
CID 64682841

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide (CID 82881498) is 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide is Cn1ccc(CNS(=O)(=O)CCCCN)n1.
What is the InChIKey of 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide?
The InChIKey is MFGSFCQTZFYKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-13-6-4-9(12-13)8-11-16(14,15)7-3-2-5-10/h4,6,11H,2-3,5,7-8,10H2,1H3.
What are the key properties of 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide?
4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 82881498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).