N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

C15H23NO2S2 — CID 65124207

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCC1CCCC(O)(CNC(=O)CSCc2cccs2)C1
InChIInChI=1S/C15H23NO2S2/c1-12-4-2-6-15(18,8-12)11-16-14(17)10-19-9-13-5-3-7-20-13/h3,5,7,12,18H,2,4,6,8-11H2,1H3,(H,16,17)
InChIKeyDWACFAHYXXKNAH-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.04
Rot. Bonds6

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 65124207) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID65124207
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCC1CCCC(O)(CNC(=O)CSCc2cccs2)C1
InChIInChI=1S/C15H23NO2S2/c1-12-4-2-6-15(18,8-12)11-16-14(17)10-19-9-13-5-3-7-20-13/h3,5,7,12,18H,2,4,6,8-11H2,1H3,(H,16,17)
InChIKeyDWACFAHYXXKNAH-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 62526504
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103849551
1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312042
4-methyl-1-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172601
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148225
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
2-(cyclohexen-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124247
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
CID 65124279

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 65124207) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is CC1CCCC(O)(CNC(=O)CSCc2cccs2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is DWACFAHYXXKNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-12-4-2-6-15(18,8-12)11-16-14(17)10-19-9-13-5-3-7-20-13/h3,5,7,12,18H,2,4,6,8-11H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 313.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 65124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).