N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide

C12H23NO4S — CID 62525990

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
SMILESCC1CCCC(CO)(NC(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H23NO4S/c1-10-4-3-6-12(8-10,9-14)13-11(15)5-7-18(2,16)17/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyLREVKJOMWFTMMG-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.48
Rot. Bonds5

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide (PubChem CID 62525990) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
PubChem CID62525990
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
SMILESCC1CCCC(CO)(NC(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H23NO4S/c1-10-4-3-6-12(8-10,9-14)13-11(15)5-7-18(2,16)17/h10,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyLREVKJOMWFTMMG-UHFFFAOYSA-N
XLogP0.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]pent-4-enamide
CID 62678355
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbutanamide
CID 62527367
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]hexanamide
CID 82851944
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 62526838
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-piperidin-3-ylacetamide
CID 62674573
3-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62526163

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide (CID 62525990) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide is CC1CCCC(CO)(NC(=O)CCS(C)(=O)=O)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide?
The InChIKey is LREVKJOMWFTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10-4-3-6-12(8-10,9-14)13-11(15)5-7-18(2,16)17/h10,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 62525990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).