1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

C13H27NO3S — CID 79387330

IUPAC1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-4-14(11-13(2,3)15)18(16,17)10-12-8-6-5-7-9-12/h12,15H,4-11H2,1-3H3
InChIKeySLUFTSNNAKQESC-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.99
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (PubChem CID 79387330) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
PubChem CID79387330
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H27NO3S/c1-4-14(11-13(2,3)15)18(16,17)10-12-8-6-5-7-9-12/h12,15H,4-11H2,1-3H3
InChIKeySLUFTSNNAKQESC-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (CID 79387330) is 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The InChIKey is SLUFTSNNAKQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-4-14(11-13(2,3)15)18(16,17)10-12-8-6-5-7-9-12/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 79387330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).