2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide

C12H24N2O3S — CID 81195838

IUPAC2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide
SMILESCC(N)CCS(=O)(=O)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O3S/c1-9(13)7-8-18(16,17)10(2)12(15)14-11-5-3-4-6-11/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyLLRDUYSECJWPNH-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.59
Rot. Bonds6

About 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide

2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide (PubChem CID 81195838) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide
PubChem CID81195838
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide
SMILESCC(N)CCS(=O)(=O)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O3S/c1-9(13)7-8-18(16,17)10(2)12(15)14-11-5-3-4-6-11/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyLLRDUYSECJWPNH-UHFFFAOYSA-N
XLogP0.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide?
The IUPAC name of 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide (CID 81195838) is 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide is CC(N)CCS(=O)(=O)C(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide?
The InChIKey is LLRDUYSECJWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(13)7-8-18(16,17)10(2)12(15)14-11-5-3-4-6-11/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide?
2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide is sourced from PubChem (CID 81195838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).