2-methylsulfonyl-4-propan-2-ylthiophene

C8H12O2S2 — CID 137453120

IUPAC2-methylsulfonyl-4-propan-2-ylthiophene
SMILESCC(C)c1csc(S(C)(=O)=O)c1
InChIInChI=1S/C8H12O2S2/c1-6(2)7-4-8(11-5-7)12(3,9)10/h4-6H,1-3H3
InChIKeyHOPJVPVOPZDUNZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.28
Rot. Bonds2

About 2-methylsulfonyl-4-propan-2-ylthiophene

2-methylsulfonyl-4-propan-2-ylthiophene (PubChem CID 137453120) has the molecular formula C8H12O2S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methylsulfonyl-4-propan-2-ylthiophene.

Molecular Properties

Compound Name2-methylsulfonyl-4-propan-2-ylthiophene
PubChem CID137453120
Molecular FormulaC8H12O2S2
Molecular Weight204.32 g/mol
Exact Mass204.03
IUPAC Name2-methylsulfonyl-4-propan-2-ylthiophene
SMILESCC(C)c1csc(S(C)(=O)=O)c1
InChIInChI=1S/C8H12O2S2/c1-6(2)7-4-8(11-5-7)12(3,9)10/h4-6H,1-3H3
InChIKeyHOPJVPVOPZDUNZ-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methylsulfonylthiophen-3-amine
CID 83482061
2-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-propan-2-ylthiophene
CID 150684916
4-(difluoromethyl)thiophene-2-sulfonamide
CID 69128921
2-methyl-3-[(5-methylsulfonylthiophene-3-carbonyl)amino]propanoic acid
CID 120687505
3-[cyclopropyl-(5-methylsulfonylthiophene-3-carbonyl)amino]-2-methylpropanoic acid
CID 120689446
3-methyl-4-[(5-methylsulfonylthiophene-3-carbonyl)amino]butanoic acid
CID 120689713
2-methyl-3-[4-[(5-methylsulfonylthiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 120690029
4-methylsulfonylthiophene-2-sulfonamide
CID 123230246
4-methylsulfonylthiophene-2-sulfonyl chloride
CID 90285504
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
CID 10426239
5-methylsulfonyl-2-propan-2-yl-1,3-thiazole
CID 146520480
ethane;1-methyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 176666270

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-propan-2-ylthiophene?
The IUPAC name of 2-methylsulfonyl-4-propan-2-ylthiophene (CID 137453120) is 2-methylsulfonyl-4-propan-2-ylthiophene.
What is the SMILES notation for 2-methylsulfonyl-4-propan-2-ylthiophene?
The canonical SMILES for 2-methylsulfonyl-4-propan-2-ylthiophene is CC(C)c1csc(S(C)(=O)=O)c1.
What is the InChIKey of 2-methylsulfonyl-4-propan-2-ylthiophene?
The InChIKey is HOPJVPVOPZDUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S2/c1-6(2)7-4-8(11-5-7)12(3,9)10/h4-6H,1-3H3.
What are the key properties of 2-methylsulfonyl-4-propan-2-ylthiophene?
2-methylsulfonyl-4-propan-2-ylthiophene has a molecular weight of 204.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-propan-2-ylthiophene is sourced from PubChem (CID 137453120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).