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

C10H20N4O2S — CID 54951995

IUPAC4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)CCCCN
InChIInChI=1S/C10H20N4O2S/c1-13-8-10(7-12-13)9-14(2)17(15,16)6-4-3-5-11/h7-8H,3-6,9,11H2,1-2H3
InChIKeyLPIIKBGUEFUHMP-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.08
Rot. Bonds7

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

4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide (PubChem CID 54951995) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide
PubChem CID54951995
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)CCCCN
InChIInChI=1S/C10H20N4O2S/c1-13-8-10(7-12-13)9-14(2)17(15,16)6-4-3-5-11/h7-8H,3-6,9,11H2,1-2H3
InChIKeyLPIIKBGUEFUHMP-UHFFFAOYSA-N
XLogP-0.08
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
2-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794973
6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 116535205
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63944818
4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39623413
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305507
3-amino-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 63322968
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
4-bromo-3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103697227

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide (CID 54951995) is 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide?
The InChIKey is LPIIKBGUEFUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-13-8-10(7-12-13)9-14(2)17(15,16)6-4-3-5-11/h7-8H,3-6,9,11H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide?
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 54951995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).