3-(benzenesulfonyl)-N-propylcyclopentan-1-amine

C14H21NO2S — CID 64722832

IUPAC3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-2-10-15-12-8-9-14(11-12)18(16,17)13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3
InChIKeyFETRYXXOXGDYCC-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.38
Rot. Bonds5

About 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine

3-(benzenesulfonyl)-N-propylcyclopentan-1-amine (PubChem CID 64722832) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
PubChem CID64722832
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2S/c1-2-10-15-12-8-9-14(11-12)18(16,17)13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3
InChIKeyFETRYXXOXGDYCC-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine (CID 64722832) is 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine?
The InChIKey is FETRYXXOXGDYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-10-15-12-8-9-14(11-12)18(16,17)13-6-4-3-5-7-13/h3-7,12,14-15H,2,8-11H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine?
3-(benzenesulfonyl)-N-propylcyclopentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64722832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).