3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol

C12H23NOS — CID 115726349

IUPAC3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
SMILESCC(NCC1(O)CCSC1)C1CCCC1
InChIInChI=1S/C12H23NOS/c1-10(11-4-2-3-5-11)13-8-12(14)6-7-15-9-12/h10-11,13-14H,2-9H2,1H3
InChIKeyDYRNLLHDBAQGSZ-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.02
Rot. Bonds4

About 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol

3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol (PubChem CID 115726349) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
PubChem CID115726349
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
SMILESCC(NCC1(O)CCSC1)C1CCCC1
InChIInChI=1S/C12H23NOS/c1-10(11-4-2-3-5-11)13-8-12(14)6-7-15-9-12/h10-11,13-14H,2-9H2,1H3
InChIKeyDYRNLLHDBAQGSZ-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725460
1-[(3-hydroxythiolan-3-yl)methyl]-3-propan-2-ylurea
CID 111597399
3-[[(3,3-dimethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115732714
(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol
CID 99636838
2-[1-[(1-cyclopentylethylamino)methyl]cyclobutyl]ethanol
CID 115894754
3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 111629673
1-(azepan-1-yl)-3-[(3-hydroxythiolan-3-yl)methylamino]butan-1-one
CID 84589084
1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol?
The IUPAC name of 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol (CID 115726349) is 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol is CC(NCC1(O)CCSC1)C1CCCC1.
What is the InChIKey of 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol?
The InChIKey is DYRNLLHDBAQGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(11-4-2-3-5-11)13-8-12(14)6-7-15-9-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol?
3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol has a molecular weight of 229.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol is sourced from PubChem (CID 115726349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).