4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide

C12H21NO2S — CID 143520564

IUPAC4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESC/C=C\C1=C(C)S(=O)(=O)CCN1C(C)CC
InChIInChI=1S/C12H21NO2S/c1-5-7-12-11(4)16(14,15)9-8-13(12)10(3)6-2/h5,7,10H,6,8-9H2,1-4H3/b7-5-
InChIKeyKNOIFZAHKIZEHE-ALCCZGGFSA-N
MW243.37 g/mol
LogP2.32
Rot. Bonds3

About 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide

4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide (PubChem CID 143520564) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
PubChem CID143520564
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESC/C=C\C1=C(C)S(=O)(=O)CCN1C(C)CC
InChIInChI=1S/C12H21NO2S/c1-5-7-12-11(4)16(14,15)9-8-13(12)10(3)6-2/h5,7,10H,6,8-9H2,1-4H3/b7-5-
InChIKeyKNOIFZAHKIZEHE-ALCCZGGFSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The IUPAC name of 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide (CID 143520564) is 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide is C/C=C\C1=C(C)S(=O)(=O)CCN1C(C)CC.
What is the InChIKey of 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The InChIKey is KNOIFZAHKIZEHE-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-5-7-12-11(4)16(14,15)9-8-13(12)10(3)6-2/h5,7,10H,6,8-9H2,1-4H3/b7-5-.
What are the key properties of 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide?
4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide has a molecular weight of 243.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 143520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).