N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide

C12H23NO4S — CID 112695770

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
SMILESCC1CCCC(O)(CNC(=O)C(C)S(C)(=O)=O)C1
InChIInChI=1S/C12H23NO4S/c1-9-5-4-6-12(15,7-9)8-13-11(14)10(2)18(3,16)17/h9-10,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyDZFHARWCKZXEDG-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.48
Rot. Bonds4

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide (PubChem CID 112695770) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
PubChem CID112695770
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
SMILESCC1CCCC(O)(CNC(=O)C(C)S(C)(=O)=O)C1
InChIInChI=1S/C12H23NO4S/c1-9-5-4-6-12(15,7-9)8-13-11(14)10(2)18(3,16)17/h9-10,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyDZFHARWCKZXEDG-UHFFFAOYSA-N
XLogP0.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-hydroxy-3-methylcyclohexyl)methyl]-2-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-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
CID 115626883
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
N-carbamoyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]propanamide
CID 65120634

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide (CID 112695770) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide is CC1CCCC(O)(CNC(=O)C(C)S(C)(=O)=O)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide?
The InChIKey is DZFHARWCKZXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-9-5-4-6-12(15,7-9)8-13-11(14)10(2)18(3,16)17/h9-10,15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 0.48, 4 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-methylsulfonylpropanamide is sourced from PubChem (CID 112695770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).