[2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol

C13H25NOS — CID 107132192

IUPAC[2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCC1CCSC1
InChIInChI=1S/C13H25NOS/c15-9-13-4-2-1-3-12(13)8-14-7-11-5-6-16-10-11/h11-15H,1-10H2
InChIKeyXESGACMACPPUTI-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.13
Rot. Bonds5

About [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol

[2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 107132192) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol
PubChem CID107132192
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCC1CCSC1
InChIInChI=1S/C13H25NOS/c15-9-13-4-2-1-3-12(13)8-14-7-11-5-6-16-10-11/h11-15H,1-10H2
InChIKeyXESGACMACPPUTI-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
[2-(thiolan-3-ylmethylamino)cyclopentyl]methanol
CID 107166450
[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol
CID 79551480
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
N-cyclopentyl-2-(thiolan-3-ylmethylamino)acetamide
CID 107166294
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
[2-(thiolan-3-ylamino)cyclohexyl]methanol
CID 103784945
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036
[1-[(thiolan-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 107132321
2-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295988
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131227
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168

Frequently Asked Questions

What is the IUPAC name of [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol (CID 107132192) is [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol is OCC1CCCCC1CNCC1CCSC1.
What is the InChIKey of [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is XESGACMACPPUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-9-13-4-2-1-3-12(13)8-14-7-11-5-6-16-10-11/h11-15H,1-10H2.
What are the key properties of [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol?
[2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 243.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 107132192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).