N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide

C11H21NO3S — CID 135173591

IUPACN-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC(CO)CC1)C1CC1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12(11-6-7-11)10-4-2-9(8-13)3-5-10/h9-11,13H,2-8H2,1H3
InChIKeyCEEPRODCDUGIGK-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.96
Rot. Bonds4

About N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide

N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 135173591) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
PubChem CID135173591
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCC(CO)CC1)C1CC1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12(11-6-7-11)10-4-2-9(8-13)3-5-10/h9-11,13H,2-8H2,1H3
InChIKeyCEEPRODCDUGIGK-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide (CID 135173591) is N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide is CS(=O)(=O)N(C1CCC(CO)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is CEEPRODCDUGIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(14,15)12(11-6-7-11)10-4-2-9(8-13)3-5-10/h9-11,13H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 247.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(hydroxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 135173591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).