2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide

C19H21NO2S2 — CID 141221116

IUPAC2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide
SMILESCC1(C)CC(c2c[nH]c3ccc(-c4ccsc4)cc23)CCS1(=O)=O
InChIInChI=1S/C19H21NO2S2/c1-19(2)10-14(6-8-24(19,21)22)17-11-20-18-4-3-13(9-16(17)18)15-5-7-23-12-15/h3-5,7,9,11-12,14,20H,6,8,10H2,1-2H3
InChIKeyIWMDVVPSUMZVJO-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.97
Rot. Bonds2

About 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide

2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide (PubChem CID 141221116) has the molecular formula C19H21NO2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide
PubChem CID141221116
Molecular FormulaC19H21NO2S2
Molecular Weight359.52 g/mol
Exact Mass359.10
IUPAC Name2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide
SMILESCC1(C)CC(c2c[nH]c3ccc(-c4ccsc4)cc23)CCS1(=O)=O
InChIInChI=1S/C19H21NO2S2/c1-19(2)10-14(6-8-24(19,21)22)17-11-20-18-4-3-13(9-16(17)18)15-5-7-23-12-15/h3-5,7,9,11-12,14,20H,6,8,10H2,1-2H3
InChIKeyIWMDVVPSUMZVJO-UHFFFAOYSA-N
XLogP4.97
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide?
The IUPAC name of 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide (CID 141221116) is 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide is CC1(C)CC(c2c[nH]c3ccc(-c4ccsc4)cc23)CCS1(=O)=O.
What is the InChIKey of 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide?
The InChIKey is IWMDVVPSUMZVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S2/c1-19(2)10-14(6-8-24(19,21)22)17-11-20-18-4-3-13(9-16(17)18)15-5-7-23-12-15/h3-5,7,9,11-12,14,20H,6,8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide?
2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide has a molecular weight of 359.52 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(5-thiophen-3-yl-1H-indol-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 141221116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).