2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine

C16H31NOS — CID 79588291

IUPAC2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)CC1CCCC1
InChIInChI=1S/C16H31NOS/c1-2-11-17-16-9-5-8-15(16)10-12-19(18)13-14-6-3-4-7-14/h14-17H,2-13H2,1H3
InChIKeyGIRFRWKQYQDSOV-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.48
Rot. Bonds8

About 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine

2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine (PubChem CID 79588291) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine
PubChem CID79588291
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)CC1CCCC1
InChIInChI=1S/C16H31NOS/c1-2-11-17-16-9-5-8-15(16)10-12-19(18)13-14-6-3-4-7-14/h14-17H,2-13H2,1H3
InChIKeyGIRFRWKQYQDSOV-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine (CID 79588291) is 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCS(=O)CC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is GIRFRWKQYQDSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-2-11-17-16-9-5-8-15(16)10-12-19(18)13-14-6-3-4-7-14/h14-17H,2-13H2,1H3.
What are the key properties of 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine?
2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 285.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79588291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).