1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide

C18H31NO2S — CID 134204492

IUPAC1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide
SMILESCC1C2CC3CC1CC(NS(=O)(=O)CC1CCCCC1)(C3)C2
InChIInChI=1S/C18H31NO2S/c1-13-16-7-15-8-17(13)11-18(9-15,10-16)19-22(20,21)12-14-5-3-2-4-6-14/h13-17,19H,2-12H2,1H3
InChIKeyWSVGSGVZQKZRMR-UHFFFAOYSA-N
MW325.52 g/mol
LogP3.70
Rot. Bonds4

About 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide

1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide (PubChem CID 134204492) has the molecular formula C18H31NO2S and a molecular weight of 325.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide
PubChem CID134204492
Molecular FormulaC18H31NO2S
Molecular Weight325.52 g/mol
Exact Mass325.21
IUPAC Name1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide
SMILESCC1C2CC3CC1CC(NS(=O)(=O)CC1CCCCC1)(C3)C2
InChIInChI=1S/C18H31NO2S/c1-13-16-7-15-8-17(13)11-18(9-15,10-16)19-22(20,21)12-14-5-3-2-4-6-14/h13-17,19H,2-12H2,1H3
InChIKeyWSVGSGVZQKZRMR-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide (CID 134204492) is 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide is CC1C2CC3CC1CC(NS(=O)(=O)CC1CCCCC1)(C3)C2.
What is the InChIKey of 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide?
The InChIKey is WSVGSGVZQKZRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2S/c1-13-16-7-15-8-17(13)11-18(9-15,10-16)19-22(20,21)12-14-5-3-2-4-6-14/h13-17,19H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide?
1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide has a molecular weight of 325.52 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-methyl-1-adamantyl)methanesulfonamide is sourced from PubChem (CID 134204492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).