1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine

C12H24N2S — CID 64679534

IUPAC1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCN2CCCSCC2)CCCC1
InChIInChI=1S/C12H24N2S/c13-12(4-1-2-5-12)6-8-14-7-3-10-15-11-9-14/h1-11,13H2
InChIKeyWRFKRCTUVNLFTL-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.09
Rot. Bonds3

About 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine

1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine (PubChem CID 64679534) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine
PubChem CID64679534
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCN2CCCSCC2)CCCC1
InChIInChI=1S/C12H24N2S/c13-12(4-1-2-5-12)6-8-14-7-3-10-15-11-9-14/h1-11,13H2
InChIKeyWRFKRCTUVNLFTL-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine (CID 64679534) is 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine is NC1(CCN2CCCSCC2)CCCC1.
What is the InChIKey of 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine?
The InChIKey is WRFKRCTUVNLFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c13-12(4-1-2-5-12)6-8-14-7-3-10-15-11-9-14/h1-11,13H2.
What are the key properties of 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine?
1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-thiazepan-4-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64679534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).