2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide

C14H29NO3S — CID 65015096

IUPAC2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)C(COC1CCCCCC1)CS(N)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-14(2,3)12(11-19(15,16)17)10-18-13-8-6-4-5-7-9-13/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyLXEHYTGDEBDNAY-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.68
Rot. Bonds5

About 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide

2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 65015096) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID65015096
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)C(COC1CCCCCC1)CS(N)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-14(2,3)12(11-19(15,16)17)10-18-13-8-6-4-5-7-9-13/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyLXEHYTGDEBDNAY-UHFFFAOYSA-N
XLogP2.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
CID 65015620
2-(cyclopentyloxymethyl)butane-1-sulfonamide
CID 64999885
2-[(3,4-dimethylcyclohexyl)oxymethyl]-3,3-dimethylbutane-1-sulfonyl chloride
CID 65015374
3-methyl-2-(oxolan-3-yloxymethyl)butane-1-sulfonamide
CID 65011580
1-cyclododecyloxypropan-2-ol
CID 54403914
(2R)-1-cyclohexyloxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 90381402
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
[(2S)-1-cyclopentyloxypropan-2-yl] (2S)-2-aminopropanoate
CID 121466308
3-cyclopentyloxy-2-methylpropan-1-amine
CID 43367941
2-[(2-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015618
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
3-cycloheptyloxy-2-methylpropanimidamide
CID 114995552

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide (CID 65015096) is 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)C(COC1CCCCCC1)CS(N)(=O)=O.
What is the InChIKey of 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is LXEHYTGDEBDNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-14(2,3)12(11-19(15,16)17)10-18-13-8-6-4-5-7-9-13/h12-13H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 65015096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).