2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol

C12H23NO2S — CID 64928655

IUPAC2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1CCC(NCC2CCCCC2O)CC1
InChIInChI=1S/C12H23NO2S/c14-12-4-2-1-3-10(12)9-13-11-5-7-16(15)8-6-11/h10-14H,1-9H2
InChIKeyZIBYGGHEBPXZTL-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.04
Rot. Bonds3

About 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64928655) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64928655
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1CCC(NCC2CCCCC2O)CC1
InChIInChI=1S/C12H23NO2S/c14-12-4-2-1-3-10(12)9-13-11-5-7-16(15)8-6-11/h10-14H,1-9H2
InChIKeyZIBYGGHEBPXZTL-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
1-oxo-N-(thian-2-ylmethyl)thian-4-amine
CID 80600452
2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 80705865
2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 64928848
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol (CID 64928655) is 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol is O=S1CCC(NCC2CCCCC2O)CC1.
What is the InChIKey of 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZIBYGGHEBPXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c14-12-4-2-1-3-10(12)9-13-11-5-7-16(15)8-6-11/h10-14H,1-9H2.
What are the key properties of 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 245.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).