1-cyclopentylsulfanyl-N-ethylbutan-2-amine

C11H23NS — CID 64628616

IUPAC1-cyclopentylsulfanyl-N-ethylbutan-2-amine
SMILESCCNC(CC)CSC1CCCC1
InChIInChI=1S/C11H23NS/c1-3-10(12-4-2)9-13-11-7-5-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyKCVBBDVRELALRA-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.05
Rot. Bonds6

About 1-cyclopentylsulfanyl-N-ethylbutan-2-amine

1-cyclopentylsulfanyl-N-ethylbutan-2-amine (PubChem CID 64628616) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-N-ethylbutan-2-amine
PubChem CID64628616
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-cyclopentylsulfanyl-N-ethylbutan-2-amine
SMILESCCNC(CC)CSC1CCCC1
InChIInChI=1S/C11H23NS/c1-3-10(12-4-2)9-13-11-7-5-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyKCVBBDVRELALRA-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-N-ethylbutan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-N-ethylbutan-2-amine (CID 64628616) is 1-cyclopentylsulfanyl-N-ethylbutan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-N-ethylbutan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-N-ethylbutan-2-amine is CCNC(CC)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanyl-N-ethylbutan-2-amine?
The InChIKey is KCVBBDVRELALRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-10(12-4-2)9-13-11-7-5-6-8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-N-ethylbutan-2-amine?
1-cyclopentylsulfanyl-N-ethylbutan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-N-ethylbutan-2-amine is sourced from PubChem (CID 64628616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).