4-butan-2-ylsulfonylheptane

C11H24O2S — CID 140508909

IUPAC4-butan-2-ylsulfonylheptane
SMILESCCCC(CCC)S(=O)(=O)C(C)CC
InChIInChI=1S/C11H24O2S/c1-5-8-11(9-6-2)14(12,13)10(4)7-3/h10-11H,5-9H2,1-4H3
InChIKeyNKVWAEGFZUYBFE-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.17
Rot. Bonds7

About 4-butan-2-ylsulfonylheptane

4-butan-2-ylsulfonylheptane (PubChem CID 140508909) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 4-butan-2-ylsulfonylheptane.

Molecular Properties

Compound Name4-butan-2-ylsulfonylheptane
PubChem CID140508909
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name4-butan-2-ylsulfonylheptane
SMILESCCCC(CCC)S(=O)(=O)C(C)CC
InChIInChI=1S/C11H24O2S/c1-5-8-11(9-6-2)14(12,13)10(4)7-3/h10-11H,5-9H2,1-4H3
InChIKeyNKVWAEGFZUYBFE-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropylsulfonyl)heptane
CID 142872374
2-but-3-en-2-ylsulfonylbutane
CID 12672765
4-[1-(3-propylhexan-2-ylsulfonyl)ethyl]heptane
CID 141263756
(2R)-butane-2-sulfonic acid
CID 46398806
2-butan-2-ylsulfonyl-3-methylbutanoic acid
CID 43444428
2-butan-2-ylsulfonyl-N-methylpentan-3-amine
CID 64645279
3-butan-2-ylsulfonyl-2-methylbutanoic acid
CID 79391598
butan-2-yl(triethyl)-λ4-sulfane
CID 154937143
CID 87069248
CID 87069248
[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 125456687
1-chloro-1-(1-chlorobutylsulfonyl)butane
CID 88536433
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfonylheptane?
The IUPAC name of 4-butan-2-ylsulfonylheptane (CID 140508909) is 4-butan-2-ylsulfonylheptane.
What is the SMILES notation for 4-butan-2-ylsulfonylheptane?
The canonical SMILES for 4-butan-2-ylsulfonylheptane is CCCC(CCC)S(=O)(=O)C(C)CC.
What is the InChIKey of 4-butan-2-ylsulfonylheptane?
The InChIKey is NKVWAEGFZUYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-5-8-11(9-6-2)14(12,13)10(4)7-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-butan-2-ylsulfonylheptane?
4-butan-2-ylsulfonylheptane has a molecular weight of 220.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfonylheptane is sourced from PubChem (CID 140508909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).