2-ethylthiazetidine 1,1-dioxide

C4H9NO2S — CID 13053018

IUPAC2-ethylthiazetidine 1,1-dioxide
SMILESCCN1CCS1(=O)=O
InChIInChI=1S/C4H9NO2S/c1-2-5-3-4-8(5,6)7/h2-4H2,1H3
InChIKeyKUUVWBAPCVREHQ-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.35
Rot. Bonds1

About 2-ethylthiazetidine 1,1-dioxide

2-ethylthiazetidine 1,1-dioxide (PubChem CID 13053018) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 2-ethylthiazetidine 1,1-dioxide.

Molecular Properties

Compound Name2-ethylthiazetidine 1,1-dioxide
PubChem CID13053018
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name2-ethylthiazetidine 1,1-dioxide
SMILESCCN1CCS1(=O)=O
InChIInChI=1S/C4H9NO2S/c1-2-5-3-4-8(5,6)7/h2-4H2,1H3
InChIKeyKUUVWBAPCVREHQ-UHFFFAOYSA-N
XLogP-0.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylethanesulfonamide
CID 303052
2-Methyl-1lambda~6~,2-thiazetidine-1,1-dione
CID 12959054
Ethylsulfonyl azetidine
CID 70663315
N,N-diethylpropane-1-sulfonamide
CID 303064
2-Propylthiazetidine 1,1-dioxide
CID 12959044
2-Propan-2-ylthiazetidine 1,1-dioxide
CID 12959057
2-Tert-butylthiazetidine 1,1-dioxide
CID 13460700
N-ethyl-N-methylethanesulfonamide
CID 21102946
1-(2-Methylpropylsulfonyl)azetidine
CID 58756970
3-Methyl-1-propan-2-ylsulfonylazetidine
CID 59266025
2-Methyl-1-propan-2-ylsulfonylazetidine
CID 59266037
1-Tert-butylsulfonylazetidine
CID 59519357

Frequently Asked Questions

What is the IUPAC name of 2-ethylthiazetidine 1,1-dioxide?
The IUPAC name of 2-ethylthiazetidine 1,1-dioxide (CID 13053018) is 2-ethylthiazetidine 1,1-dioxide.
What is the SMILES notation for 2-ethylthiazetidine 1,1-dioxide?
The canonical SMILES for 2-ethylthiazetidine 1,1-dioxide is CCN1CCS1(=O)=O.
What is the InChIKey of 2-ethylthiazetidine 1,1-dioxide?
The InChIKey is KUUVWBAPCVREHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-2-5-3-4-8(5,6)7/h2-4H2,1H3.
What are the key properties of 2-ethylthiazetidine 1,1-dioxide?
2-ethylthiazetidine 1,1-dioxide has a molecular weight of 135.19 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiazetidine 1,1-dioxide is sourced from PubChem (CID 13053018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).