N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide

C10H21NO3S — CID 62526005

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C10H21NO3S/c1-3-15(13,14)11-10(8-12)6-4-9(2)5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeyKMXIEDBKDIEIHD-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.87
Rot. Bonds4

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide (PubChem CID 62526005) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
PubChem CID62526005
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C10H21NO3S/c1-3-15(13,14)11-10(8-12)6-4-9(2)5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeyKMXIEDBKDIEIHD-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 62526516
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188
N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 62526694
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 62525311
[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol
CID 65092789
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide
CID 62552865
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62525829
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide (CID 62526005) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide?
The InChIKey is KMXIEDBKDIEIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-15(13,14)11-10(8-12)6-4-9(2)5-7-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide is sourced from PubChem (CID 62526005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).