(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine

C12H23NS — CID 107132288

IUPAC(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCSC1)C1CCCC1
InChIInChI=1S/C12H23NS/c1-10(12-4-2-3-5-12)13-8-11-6-7-14-9-11/h10-13H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyMTFPOLYOFUFIJY-VUWPPUDQSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds4

About (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine

(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107132288) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107132288
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCSC1)C1CCCC1
InChIInChI=1S/C12H23NS/c1-10(12-4-2-3-5-12)13-8-11-6-7-14-9-11/h10-13H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyMTFPOLYOFUFIJY-VUWPPUDQSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
CID 124674576
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
N-[(1R)-1-cyclopentylethyl]thiolan-3-amine
CID 81394776
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179
1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
CID 107166673

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine (CID 107132288) is (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine is C[C@H](NCC1CCSC1)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is MTFPOLYOFUFIJY-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(12-4-2-3-5-12)13-8-11-6-7-14-9-11/h10-13H,2-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine?
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107132288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).