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

C11H24N2O2S — CID 63829224

IUPAC4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide
SMILESCC1(CNS(=O)(=O)CCCCN)CCCC1
InChIInChI=1S/C11H24N2O2S/c1-11(6-2-3-7-11)10-13-16(14,15)9-5-4-8-12/h13H,2-10,12H2,1H3
InChIKeyAWHBJCYDIFUTGA-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.23
Rot. Bonds7

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

4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide (PubChem CID 63829224) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide
PubChem CID63829224
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide
SMILESCC1(CNS(=O)(=O)CCCCN)CCCC1
InChIInChI=1S/C11H24N2O2S/c1-11(6-2-3-7-11)10-13-16(14,15)9-5-4-8-12/h13H,2-10,12H2,1H3
InChIKeyAWHBJCYDIFUTGA-UHFFFAOYSA-N
XLogP1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide (CID 63829224) is 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide is CC1(CNS(=O)(=O)CCCCN)CCCC1.
What is the InChIKey of 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide?
The InChIKey is AWHBJCYDIFUTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(6-2-3-7-11)10-13-16(14,15)9-5-4-8-12/h13H,2-10,12H2,1H3.
What are the key properties of 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide?
4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 63829224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).