3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol

C13H25NOS — CID 111629673

IUPAC3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol
SMILESCCC1CCCC(NCC2(O)CCSC2)C1
InChIInChI=1S/C13H25NOS/c1-2-11-4-3-5-12(8-11)14-9-13(15)6-7-16-10-13/h11-12,14-15H,2-10H2,1H3
InChIKeyWAXREKNFIYELPL-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds4

About 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol

3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol (PubChem CID 111629673) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol
PubChem CID111629673
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol
SMILESCCC1CCCC(NCC2(O)CCSC2)C1
InChIInChI=1S/C13H25NOS/c1-2-11-4-3-5-12(8-11)14-9-13(15)6-7-16-10-13/h11-12,14-15H,2-10H2,1H3
InChIKeyWAXREKNFIYELPL-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
3-[[(3-methylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115672584
1-[(1S,3R)-3-ethylcyclohexyl]-3-[[(3S)-3-hydroxythiolan-3-yl]methyl]urea
CID 100873888
1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115804
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062
1-[[(3-ethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105950
3-[[(3,3-dimethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115732714
4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428536
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
(3S)-3-[[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]methyl]thiolan-3-ol
CID 99854347
3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
CID 115726349

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol (CID 111629673) is 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol is CCC1CCCC(NCC2(O)CCSC2)C1.
What is the InChIKey of 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol?
The InChIKey is WAXREKNFIYELPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-11-4-3-5-12(8-11)14-9-13(15)6-7-16-10-13/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol?
3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol is sourced from PubChem (CID 111629673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).