1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine

C12H23NS — CID 80584262

IUPAC1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCS1)C1CCCC1
InChIInChI=1S/C12H23NS/c1-10(11-5-2-3-6-11)13-9-12-7-4-8-14-12/h10-13H,2-9H2,1H3
InChIKeyDPODSVOUJRHHDJ-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds4

About 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine

1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80584262) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80584262
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCS1)C1CCCC1
InChIInChI=1S/C12H23NS/c1-10(11-5-2-3-6-11)13-9-12-7-4-8-14-12/h10-13H,2-9H2,1H3
InChIKeyDPODSVOUJRHHDJ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
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-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine (CID 80584262) is 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine is CC(NCC1CCCS1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is DPODSVOUJRHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(11-5-2-3-6-11)13-9-12-7-4-8-14-12/h10-13H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine?
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80584262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).