1-cyclopentyl-2-methylsulfanylethanamine

C8H17NS — CID 62691520

IUPAC1-cyclopentyl-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCCC1
InChIInChI=1S/C8H17NS/c1-10-6-8(9)7-4-2-3-5-7/h7-8H,2-6,9H2,1H3
InChIKeyXJZIHXAYYCTEDA-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds3

About 1-cyclopentyl-2-methylsulfanylethanamine

1-cyclopentyl-2-methylsulfanylethanamine (PubChem CID 62691520) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-methylsulfanylethanamine
PubChem CID62691520
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-cyclopentyl-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCCC1
InChIInChI=1S/C8H17NS/c1-10-6-8(9)7-4-2-3-5-7/h7-8H,2-6,9H2,1H3
InChIKeyXJZIHXAYYCTEDA-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methylsulfanylethanamine?
The IUPAC name of 1-cyclopentyl-2-methylsulfanylethanamine (CID 62691520) is 1-cyclopentyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-2-methylsulfanylethanamine is CSCC(N)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methylsulfanylethanamine?
The InChIKey is XJZIHXAYYCTEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-10-6-8(9)7-4-2-3-5-7/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-cyclopentyl-2-methylsulfanylethanamine?
1-cyclopentyl-2-methylsulfanylethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methylsulfanylethanamine is sourced from PubChem (CID 62691520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).