N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide

C11H21NO4S — CID 103798336

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCCC1CO)S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-8(17(2,15)16)11(14)12-10-6-4-3-5-9(10)7-13/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyBZYRIJYRRJGNFR-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.09
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide

N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide (PubChem CID 103798336) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
PubChem CID103798336
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCCC1CO)S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-8(17(2,15)16)11(14)12-10-6-4-3-5-9(10)7-13/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyBZYRIJYRRJGNFR-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
CID 106366596
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
2-bromo-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359886
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
N-[2-(hydroxymethyl)cyclopentyl]-3-methylsulfonylpropanamide
CID 103822602
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 106361170
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide (CID 103798336) is N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide is CC(C(=O)NC1CCCCC1CO)S(C)(=O)=O.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
The InChIKey is BZYRIJYRRJGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(17(2,15)16)11(14)12-10-6-4-3-5-9(10)7-13/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 103798336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).