N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide

C13H26N2O2S — CID 95322394

IUPACN-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)14-12-8-9-15(11-12)13-6-4-5-7-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeyLDBQZJQYLJWSTL-LBPRGKRZSA-N
MW274.43 g/mol
LogP1.72
Rot. Bonds6

About N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide

N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide (PubChem CID 95322394) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
PubChem CID95322394
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)14-12-8-9-15(11-12)13-6-4-5-7-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeyLDBQZJQYLJWSTL-LBPRGKRZSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide (CID 95322394) is N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide?
The InChIKey is LDBQZJQYLJWSTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)14-12-8-9-15(11-12)13-6-4-5-7-13/h12-14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide?
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 95322394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).