(5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine

C8H15NS — CID 59584698

IUPAC(5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine
SMILESC=S1(=C)C=NC[C@H](C)[C@@H]1C
InChIInChI=1S/C8H15NS/c1-7-5-9-6-10(3,4)8(7)2/h6-8H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyNIKLDNFOAMWQQB-YUMQZZPRSA-N
MW157.28 g/mol
LogP1.72
Rot. Bonds

About (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine

(5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine (PubChem CID 59584698) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name(5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine
PubChem CID59584698
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine
SMILESC=S1(=C)C=NC[C@H](C)[C@@H]1C
InChIInChI=1S/C8H15NS/c1-7-5-9-6-10(3,4)8(7)2/h6-8H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyNIKLDNFOAMWQQB-YUMQZZPRSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine (CID 59584698) is (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine is C=S1(=C)C=NC[C@H](C)[C@@H]1C.
What is the InChIKey of (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is NIKLDNFOAMWQQB-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-5-9-6-10(3,4)8(7)2/h6-8H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine?
(5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 157.28 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 59584698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).