4-prop-1-en-2-yl-1,4-thiazinane 1-oxide

C7H13NOS — CID 146666329

IUPAC4-prop-1-en-2-yl-1,4-thiazinane 1-oxide
SMILESC=C(C)N1CCS(=O)CC1
InChIInChI=1S/C7H13NOS/c1-7(2)8-3-5-10(9)6-4-8/h1,3-6H2,2H3
InChIKeyCKBAIGOXUVGNAV-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.58
Rot. Bonds1

About 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide

4-prop-1-en-2-yl-1,4-thiazinane 1-oxide (PubChem CID 146666329) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1,4-thiazinane 1-oxide
PubChem CID146666329
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4-prop-1-en-2-yl-1,4-thiazinane 1-oxide
SMILESC=C(C)N1CCS(=O)CC1
InChIInChI=1S/C7H13NOS/c1-7(2)8-3-5-10(9)6-4-8/h1,3-6H2,2H3
InChIKeyCKBAIGOXUVGNAV-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
CID 24975881
4,5-Dimethyl-2,3-dihydro-1,4-thiazine 1-oxide
CID 134923010
1-(3-Ethylsulfinylprop-1-en-2-yl)aziridine
CID 134986134
4-Methyl-3-methylidene-1,4-thiazinane 1-oxide
CID 57557910
4-Methyl-3-methylidene-1,4-thiazinane 1,1-dioxide
CID 59520041
4-Methyl-3-methylidenethiomorpholine
CID 59520043
4-Prop-1-en-2-yl-1,4-thiazinane 1,1-dioxide
CID 68271847
(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
Ethane;4-methyl-3-methylidenethiomorpholine
CID 91055577
4-But-2-en-2-yl-1,4-thiazinane 1,1-dioxide
CID 123875902
4,4-Dimethyl-3-methylidenethiomorpholin-4-ium iodide
CID 12336607

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide (CID 146666329) is 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide is C=C(C)N1CCS(=O)CC1.
What is the InChIKey of 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is CKBAIGOXUVGNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2)8-3-5-10(9)6-4-8/h1,3-6H2,2H3.
What are the key properties of 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide?
4-prop-1-en-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 159.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 146666329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).