N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide

C10H21NO4S — CID 64913483

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C10H21NO4S/c1-15-6-7-16(13,14)11-8-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3
InChIKeyXSRXUPOKWVZRFP-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.10
Rot. Bonds6

About N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide

N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 64913483) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
PubChem CID64913483
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C10H21NO4S/c1-15-6-7-16(13,14)11-8-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3
InChIKeyXSRXUPOKWVZRFP-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 114297606
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide (CID 64913483) is N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is XSRXUPOKWVZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-15-6-7-16(13,14)11-8-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide?
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 64913483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).