3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine

C8H15NS — CID 89165988

IUPAC3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine
SMILESCC(C)N1C=CSCC1C
InChIInChI=1S/C8H15NS/c1-7(2)9-4-5-10-6-8(9)3/h4-5,7-8H,6H2,1-3H3
InChIKeyNEOLISLFORPTPD-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.30
Rot. Bonds1

About 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine

3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine (PubChem CID 89165988) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine
PubChem CID89165988
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine
SMILESCC(C)N1C=CSCC1C
InChIInChI=1S/C8H15NS/c1-7(2)9-4-5-10-6-8(9)3/h4-5,7-8H,6H2,1-3H3
InChIKeyNEOLISLFORPTPD-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine?
The IUPAC name of 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine (CID 89165988) is 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine is CC(C)N1C=CSCC1C.
What is the InChIKey of 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine?
The InChIKey is NEOLISLFORPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(2)9-4-5-10-6-8(9)3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine?
3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine has a molecular weight of 157.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 89165988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).