ethane;3-propan-2-ylsulfonylthiophene

C9H16O2S2 — CID 143985187

IUPACethane;3-propan-2-ylsulfonylthiophene
SMILESCC.CC(C)S(=O)(=O)c1ccsc1
InChIInChI=1S/C7H10O2S2.C2H6/c1-6(2)11(8,9)7-3-4-10-5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyGCTRDXQWGCTVKE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.96
Rot. Bonds2

About ethane;3-propan-2-ylsulfonylthiophene

ethane;3-propan-2-ylsulfonylthiophene (PubChem CID 143985187) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;3-propan-2-ylsulfonylthiophene.

Molecular Properties

Compound Nameethane;3-propan-2-ylsulfonylthiophene
PubChem CID143985187
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Nameethane;3-propan-2-ylsulfonylthiophene
SMILESCC.CC(C)S(=O)(=O)c1ccsc1
InChIInChI=1S/C7H10O2S2.C2H6/c1-6(2)11(8,9)7-3-4-10-5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyGCTRDXQWGCTVKE-UHFFFAOYSA-N
XLogP2.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-thiophen-3-ylsulfonylsulfonylthiophene
CID 101047717
thiophene-3-sulfonamide
CID 1201388
lithium thiophene-3-sulfonate
CID 155092365
N,N-diethylethanamine;thiophene-3-sulfonamide
CID 157152983
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
3-propan-2-ylsulfonylphenol
CID 23588863
1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
CID 89343699
N-(methanesulfonamidomethyl)thiophene-3-sulfonamide
CID 90789852
methyl N-thiophen-3-ylsulfonylcarbamate
CID 23445473
(4-propan-2-ylsulfonylphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55776937
3,3-dimethyl-1-thiophen-3-ylsulfonylbutan-2-one
CID 102325654
1,2-dimethyl-4-propan-2-ylsulfonylbenzene
CID 58551166

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-ylsulfonylthiophene?
The IUPAC name of ethane;3-propan-2-ylsulfonylthiophene (CID 143985187) is ethane;3-propan-2-ylsulfonylthiophene.
What is the SMILES notation for ethane;3-propan-2-ylsulfonylthiophene?
The canonical SMILES for ethane;3-propan-2-ylsulfonylthiophene is CC.CC(C)S(=O)(=O)c1ccsc1.
What is the InChIKey of ethane;3-propan-2-ylsulfonylthiophene?
The InChIKey is GCTRDXQWGCTVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S2.C2H6/c1-6(2)11(8,9)7-3-4-10-5-7;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;3-propan-2-ylsulfonylthiophene?
ethane;3-propan-2-ylsulfonylthiophene has a molecular weight of 220.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-ylsulfonylthiophene is sourced from PubChem (CID 143985187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).