N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide

C10H21NO4S — CID 62520965

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CO)CCCCC1
InChIInChI=1S/C10H21NO4S/c1-15-7-8-16(13,14)11-10(9-12)5-3-2-4-6-10/h11-12H,2-9H2,1H3
InChIKeyMYRXFZLKFKGDKC-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.25
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide

N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide (PubChem CID 62520965) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
PubChem CID62520965
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CO)CCCCC1
InChIInChI=1S/C10H21NO4S/c1-15-7-8-16(13,14)11-10(9-12)5-3-2-4-6-10/h11-12H,2-9H2,1H3
InChIKeyMYRXFZLKFKGDKC-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide (CID 62520965) is N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide?
The InChIKey is MYRXFZLKFKGDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-15-7-8-16(13,14)11-10(9-12)5-3-2-4-6-10/h11-12H,2-9H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 62520965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).