N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide

C15H27NO2S — CID 83135926

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
SMILESCC1CCC(CO)(NC(=O)CC2CCSCC2)CC1
InChIInChI=1S/C15H27NO2S/c1-12-2-6-15(11-17,7-3-12)16-14(18)10-13-4-8-19-9-5-13/h12-13,17H,2-11H2,1H3,(H,16,18)
InChIKeyFXAUMCOLHSODLN-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide (PubChem CID 83135926) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
PubChem CID83135926
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
SMILESCC1CCC(CO)(NC(=O)CC2CCSCC2)CC1
InChIInChI=1S/C15H27NO2S/c1-12-2-6-15(11-17,7-3-12)16-14(18)10-13-4-8-19-9-5-13/h12-13,17H,2-11H2,1H3,(H,16,18)
InChIKeyFXAUMCOLHSODLN-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide
CID 115878099
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135565
N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide
CID 83135530
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62527351
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
CID 79198654
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide (CID 83135926) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide is CC1CCC(CO)(NC(=O)CC2CCSCC2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide?
The InChIKey is FXAUMCOLHSODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-12-2-6-15(11-17,7-3-12)16-14(18)10-13-4-8-19-9-5-13/h12-13,17H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide has a molecular weight of 285.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83135926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).