1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide

C12H23NO3S — CID 64987572

IUPAC1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C12H23NO3S/c1-10-4-6-12(9-14,7-5-10)13-17(15,16)8-11-2-3-11/h10-11,13-14H,2-9H2,1H3
InChIKeyIOEBXRWTYUXRIS-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.26
Rot. Bonds5

About 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide

1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide (PubChem CID 64987572) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
PubChem CID64987572
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C12H23NO3S/c1-10-4-6-12(9-14,7-5-10)13-17(15,16)8-11-2-3-11/h10-11,13-14H,2-9H2,1H3
InChIKeyIOEBXRWTYUXRIS-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 62526005
1-(cyclopropylmethylsulfonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 64987307
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 62526516
N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide
CID 64989375
N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 62526694
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 62525311
1-(cyclohexylmethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61453926
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188
N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 114297143
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide (CID 64987572) is 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide is CC1CCC(CO)(NS(=O)(=O)CC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide?
The InChIKey is IOEBXRWTYUXRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10-4-6-12(9-14,7-5-10)13-17(15,16)8-11-2-3-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide?
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 64987572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).