1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine

C13H25NS — CID 107132041

IUPAC1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCSC1)C1CCCCC1
InChIInChI=1S/C13H25NS/c1-11(13-5-3-2-4-6-13)14-9-12-7-8-15-10-12/h11-14H,2-10H2,1H3
InChIKeyLZLCWLCINMQQLW-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds4

About 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine

1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107132041) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107132041
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCSC1)C1CCCCC1
InChIInChI=1S/C13H25NS/c1-11(13-5-3-2-4-6-13)14-9-12-7-8-15-10-12/h11-14H,2-10H2,1H3
InChIKeyLZLCWLCINMQQLW-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
CID 124674576
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
N-[(1R)-1-cyclopentylethyl]thiolan-3-amine
CID 81394776
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine (CID 107132041) is 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine is CC(NCC1CCSC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is LZLCWLCINMQQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-11(13-5-3-2-4-6-13)14-9-12-7-8-15-10-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine?
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107132041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).