2-(thiolan-3-ylmethylamino)cyclohexan-1-ol

C11H21NOS — CID 107132036

IUPAC2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCC1CCSC1
InChIInChI=1S/C11H21NOS/c13-11-4-2-1-3-10(11)12-7-9-5-6-14-8-9/h9-13H,1-8H2
InChIKeyNWBGSIBHSMDUFF-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.63
Rot. Bonds3

About 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol

2-(thiolan-3-ylmethylamino)cyclohexan-1-ol (PubChem CID 107132036) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
PubChem CID107132036
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCC1CCSC1
InChIInChI=1S/C11H21NOS/c13-11-4-2-1-3-10(11)12-7-9-5-6-14-8-9/h9-13H,1-8H2
InChIKeyNWBGSIBHSMDUFF-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 107131689
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
CID 107295198
[2-(thiolan-3-ylmethylamino)cyclopentyl]methanol
CID 107166450
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
2-[(4-methylcyclohexyl)methylamino]cyclohexan-1-ol
CID 63243394
trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
CID 104926602

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol (CID 107132036) is 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol is OC1CCCCC1NCC1CCSC1.
What is the InChIKey of 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol?
The InChIKey is NWBGSIBHSMDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-11-4-2-1-3-10(11)12-7-9-5-6-14-8-9/h9-13H,1-8H2.
What are the key properties of 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol?
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 107132036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).