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

C11H24N2O2S — CID 79870968

IUPAC1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C11H24N2O2S/c1-4-9(8-12)16(14,15)13-10-6-5-7-11(10,2)3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyIMRCJPOWQMKGEL-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.22
Rot. Bonds5

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

1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide (PubChem CID 79870968) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide
PubChem CID79870968
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C11H24N2O2S/c1-4-9(8-12)16(14,15)13-10-6-5-7-11(10,2)3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyIMRCJPOWQMKGEL-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide (CID 79870968) is 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide?
The InChIKey is IMRCJPOWQMKGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-9(8-12)16(14,15)13-10-6-5-7-11(10,2)3/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide?
1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-dimethylcyclopentyl)butane-2-sulfonamide is sourced from PubChem (CID 79870968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).