2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide

C10H21NO2S2 — CID 163645968

IUPAC2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC[C@@H](CN1CCCS1(=O)=O)C(C)SC
InChIInChI=1S/C10H21NO2S2/c1-4-10(9(2)14-3)8-11-6-5-7-15(11,12)13/h9-10H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyIIFWAHVQLPXGPW-AXDSSHIGSA-N
MW251.42 g/mol
LogP1.80
Rot. Bonds5

About 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide

2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 163645968) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID163645968
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC Name2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC[C@@H](CN1CCCS1(=O)=O)C(C)SC
InChIInChI=1S/C10H21NO2S2/c1-4-10(9(2)14-3)8-11-6-5-7-15(11,12)13/h9-10H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyIIFWAHVQLPXGPW-AXDSSHIGSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,1-Dioxidotetrahydro-3-thienyl)sulfonyl]-4-methylpiperidine
CID 20995137
3-(tert-butylsulfonyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 71805999
(3S)-3-(4-methylpiperidin-1-yl)sulfonylthiolane 1,1-dioxide
CID 42335908
1-(2-Methylsulfonylethyl)-3-propylpyrrolidine
CID 72114172
[1,1-Dimethyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium-3-yl]methanesulfonate
CID 14984973
(4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine
CID 57137794
3,4,5-Trimethyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 57870643
(3S)-1-methyl-3-(methylsulfonylmethyl)pyrrolidine
CID 58354929
1-(3-Methylbutylsulfonyl)pyrrolidine
CID 58689031
3-Ethyl-1,1-dimethyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium chloride
CID 58729953
3-Ethyl-1,1-dimethyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium
CID 58729954
2-Ethyl-5-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 58814986

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide (CID 163645968) is 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide is CC[C@@H](CN1CCCS1(=O)=O)C(C)SC.
What is the InChIKey of 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IIFWAHVQLPXGPW-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-4-10(9(2)14-3)8-11-6-5-7-15(11,12)13/h9-10H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide?
2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 251.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethyl-3-methylsulfanylbutyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 163645968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).