4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide

C11H24N2O2S — CID 79870077

IUPAC4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)CCCCN
InChIInChI=1S/C11H24N2O2S/c1-11(2)7-5-6-10(11)13-16(14,15)9-4-3-8-12/h10,13H,3-9,12H2,1-2H3
InChIKeySUERLTGJLHIOQL-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.22
Rot. Bonds6

About 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide

4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide (PubChem CID 79870077) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide
PubChem CID79870077
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)CCCCN
InChIInChI=1S/C11H24N2O2S/c1-11(2)7-5-6-10(11)13-16(14,15)9-4-3-8-12/h10,13H,3-9,12H2,1-2H3
InChIKeySUERLTGJLHIOQL-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.22
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-(2,2-dimethylcyclopentyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide (CID 79870077) is 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide is CC1(C)CCCC1NS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide?
The InChIKey is SUERLTGJLHIOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2)7-5-6-10(11)13-16(14,15)9-4-3-8-12/h10,13H,3-9,12H2,1-2H3.
What are the key properties of 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide?
4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclopentyl)butane-1-sulfonamide is sourced from PubChem (CID 79870077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).