2-cyclopentylsulfonyl-N-propylpropan-1-amine

C11H23NO2S — CID 106512803

IUPAC2-cyclopentylsulfonyl-N-propylpropan-1-amine
SMILESCCCNCC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-3-8-12-9-10(2)15(13,14)11-6-4-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyBJRDYQYGYJKDKM-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.73
Rot. Bonds6

About 2-cyclopentylsulfonyl-N-propylpropan-1-amine

2-cyclopentylsulfonyl-N-propylpropan-1-amine (PubChem CID 106512803) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-propylpropan-1-amine
PubChem CID106512803
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-cyclopentylsulfonyl-N-propylpropan-1-amine
SMILESCCCNCC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-3-8-12-9-10(2)15(13,14)11-6-4-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyBJRDYQYGYJKDKM-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylsulfonyl-N-propylpropan-1-amine
CID 106512987
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846
2-cyclopentylsulfonyl-N-prop-2-enylpropan-1-amine
CID 106512841
2-cyclohexylsulfonyl-N-prop-2-enylpropan-1-amine
CID 106513032
1-cyclohexylsulfonyl-3-(propylamino)propan-2-ol
CID 115476715
N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
CID 106069157
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
CID 64715675
4-cyclohexylsulfonyl-N-methylpentan-2-amine
CID 64704594
3-cyclohexylsulfonylbutan-1-amine
CID 64698665
(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
CID 125425171
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106094880
N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopentylsulfonyl-N-propylpropan-1-amine (CID 106512803) is 2-cyclopentylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopentylsulfonyl-N-propylpropan-1-amine is CCCNCC(C)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-propylpropan-1-amine?
The InChIKey is BJRDYQYGYJKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-8-12-9-10(2)15(13,14)11-6-4-5-7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-cyclopentylsulfonyl-N-propylpropan-1-amine?
2-cyclopentylsulfonyl-N-propylpropan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 106512803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).