1-cyclopentylsulfanylpentan-2-amine

C10H21NS — CID 64628608

IUPAC1-cyclopentylsulfanylpentan-2-amine
SMILESCCCC(N)CSC1CCCC1
InChIInChI=1S/C10H21NS/c1-2-5-9(11)8-12-10-6-3-4-7-10/h9-10H,2-8,11H2,1H3
InChIKeyDRRKKMUKDITCEI-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.79
Rot. Bonds5

About 1-cyclopentylsulfanylpentan-2-amine

1-cyclopentylsulfanylpentan-2-amine (PubChem CID 64628608) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-cyclopentylsulfanylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanylpentan-2-amine
PubChem CID64628608
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-cyclopentylsulfanylpentan-2-amine
SMILESCCCC(N)CSC1CCCC1
InChIInChI=1S/C10H21NS/c1-2-5-9(11)8-12-10-6-3-4-7-10/h9-10H,2-8,11H2,1H3
InChIKeyDRRKKMUKDITCEI-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanylpentan-2-amine?
The IUPAC name of 1-cyclopentylsulfanylpentan-2-amine (CID 64628608) is 1-cyclopentylsulfanylpentan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanylpentan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanylpentan-2-amine is CCCC(N)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanylpentan-2-amine?
The InChIKey is DRRKKMUKDITCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-5-9(11)8-12-10-6-3-4-7-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-cyclopentylsulfanylpentan-2-amine?
1-cyclopentylsulfanylpentan-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanylpentan-2-amine is sourced from PubChem (CID 64628608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).