4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide

C8H15NO2S — CID 123875902

IUPAC4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC=C(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-3-8(2)9-4-6-12(10,11)7-5-9/h3H,4-7H2,1-2H3
InChIKeyNJWIQBNSJTWIOU-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.64
Rot. Bonds1

About 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide

4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 123875902) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide
PubChem CID123875902
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC=C(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-3-8(2)9-4-6-12(10,11)7-5-9/h3H,4-7H2,1-2H3
InChIKeyNJWIQBNSJTWIOU-UHFFFAOYSA-N
XLogP0.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
CID 24975881
4-Methyl-3-methylidene-1,4-thiazinane 1-oxide
CID 57557910
4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide
CID 58283341
4-[(E)-prop-1-enyl]-1,4-thiazinane 1,1-dioxide
CID 58283414
4-Methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
CID 59520041
4-Prop-1-en-2-yl-1,4-thiazinane 1,1-dioxide
CID 68271847
4-But-1-enyl-1,4-thiazinane 1,1-dioxide
CID 76740432
4-Prop-1-enyl-1,4-thiazinane 1,1-dioxide
CID 76740437
(2R,3S)-2,3,4-trimethyl-5-methylidene-1,4-thiazinane 1,1-dioxide
CID 89377947
Ethane;4-methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
CID 90687463
4-[(E)-but-2-en-2-yl]thiomorpholine
CID 117661812
4-Buta-1,3-dien-2-yl-1,4-thiazinane 1,1-dioxide
CID 123468682

Frequently Asked Questions

What is the IUPAC name of 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide (CID 123875902) is 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide is CC=C(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is NJWIQBNSJTWIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-8(2)9-4-6-12(10,11)7-5-9/h3H,4-7H2,1-2H3.
What are the key properties of 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide?
4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 123875902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).