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

C12H25NO3S — CID 65015620

IUPAC2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)C(COC1CCCC1)CS(N)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-12(2,3)10(9-17(13,14)15)8-16-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyNXFLFCUHQYQNCI-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.90
Rot. Bonds5

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

2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 65015620) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID65015620
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)C(COC1CCCC1)CS(N)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-12(2,3)10(9-17(13,14)15)8-16-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyNXFLFCUHQYQNCI-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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Related Compounds

2-(cycloheptyloxymethyl)-3,3-dimethylbutane-1-sulfonamide
CID 65015096
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
[(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
3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
CID 65014994
(2R)-1-cyclohexyloxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 90381402
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677
3,3-dimethyl-2-[(2-nitrophenoxy)methyl]butane-1-sulfonamide
CID 65015232

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide (CID 65015620) is 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)C(COC1CCCC1)CS(N)(=O)=O.
What is the InChIKey of 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is NXFLFCUHQYQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,3)10(9-17(13,14)15)8-16-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide?
2-(cyclopentyloxymethyl)-3,3-dimethylbutane-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-(cyclopentyloxymethyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 65015620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).