(3S)-3-(ethenylsulfonylmethyl)heptane

C10H20O2S — CID 7046547

IUPAC(3S)-3-(ethenylsulfonylmethyl)heptane
SMILESC=CS(=O)(=O)C[C@@H](CC)CCCC
InChIInChI=1S/C10H20O2S/c1-4-7-8-10(5-2)9-13(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyPSXUXCCYOHQSAS-JTQLQIEISA-N
MW204.33 g/mol
LogP2.76
Rot. Bonds7

About (3S)-3-(ethenylsulfonylmethyl)heptane

(3S)-3-(ethenylsulfonylmethyl)heptane (PubChem CID 7046547) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (3S)-3-(ethenylsulfonylmethyl)heptane.

Molecular Properties

Compound Name(3S)-3-(ethenylsulfonylmethyl)heptane
PubChem CID7046547
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(3S)-3-(ethenylsulfonylmethyl)heptane
SMILESC=CS(=O)(=O)C[C@@H](CC)CCCC
InChIInChI=1S/C10H20O2S/c1-4-7-8-10(5-2)9-13(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyPSXUXCCYOHQSAS-JTQLQIEISA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexane-1-sulfonyl iodide
CID 134896154
(4S)-4-ethyloct-1-ene
CID 129373406
4-[(2R)-2-ethylhexyl]sulfonyloxybutyl (2R)-2-ethylhexane-1-sulfonate
CID 98566301
2-ethylhexyl prop-2-ene-1-sulfonate
CID 175550499
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
N-(2-ethylhexyl)-N-methylprop-2-enamide
CID 150337538
bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844
8-ethylpentadec-1-ene
CID 91081893
10-ethyldocos-1-ene
CID 91804827
6-ethyltridec-1-ene
CID 174048481
9-ethylhexadec-1-ene
CID 163949602

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethenylsulfonylmethyl)heptane?
The IUPAC name of (3S)-3-(ethenylsulfonylmethyl)heptane (CID 7046547) is (3S)-3-(ethenylsulfonylmethyl)heptane.
What is the SMILES notation for (3S)-3-(ethenylsulfonylmethyl)heptane?
The canonical SMILES for (3S)-3-(ethenylsulfonylmethyl)heptane is C=CS(=O)(=O)C[C@@H](CC)CCCC.
What is the InChIKey of (3S)-3-(ethenylsulfonylmethyl)heptane?
The InChIKey is PSXUXCCYOHQSAS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O2S/c1-4-7-8-10(5-2)9-13(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-(ethenylsulfonylmethyl)heptane?
(3S)-3-(ethenylsulfonylmethyl)heptane has a molecular weight of 204.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethenylsulfonylmethyl)heptane is sourced from PubChem (CID 7046547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).