2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide

C12H25NO3S — CID 64999381

IUPAC2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide
SMILESCC1CCCCC1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-10-6-4-5-7-11(10)16-8-12(2,3)9-17(13,14)15/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeySXAONSWQCVHSBC-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.90
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide

2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide (PubChem CID 64999381) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide
PubChem CID64999381
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide
SMILESCC1CCCCC1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-10-6-4-5-7-11(10)16-8-12(2,3)9-17(13,14)15/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeySXAONSWQCVHSBC-UHFFFAOYSA-N
XLogP1.90
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide (CID 64999381) is 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide is CC1CCCCC1OCC(C)(C)CS(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide?
The InChIKey is SXAONSWQCVHSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10-6-4-5-7-11(10)16-8-12(2,3)9-17(13,14)15/h10-11H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide?
2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylcyclohexyl)oxypropane-1-sulfonamide is sourced from PubChem (CID 64999381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).