4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide

C9H17NO2S — CID 59253607

IUPAC4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESC=C(C(C)C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17NO2S/c1-8(2)9(3)10-4-6-13(11,12)7-5-10/h8H,3-7H2,1-2H3
InChIKeyHNKPDFKLRKCGGN-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.89
Rot. Bonds2

About 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide

4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 59253607) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID59253607
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESC=C(C(C)C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17NO2S/c1-8(2)9(3)10-4-6-13(11,12)7-5-10/h8H,3-7H2,1-2H3
InChIKeyHNKPDFKLRKCGGN-UHFFFAOYSA-N
XLogP0.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide (CID 59253607) is 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide is C=C(C(C)C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is HNKPDFKLRKCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)9(3)10-4-6-13(11,12)7-5-10/h8H,3-7H2,1-2H3.
What are the key properties of 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-en-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 59253607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).