(3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide

C10H21NOS — CID 58095504

IUPAC(3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C10H21NOS/c1-9-8-13(5,12)7-6-11(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-,13?/m0/s1
InChIKeyBGZIDLJRRPWVQL-LLTODGECSA-N
MW203.35 g/mol
LogP1.21
Rot. Bonds

About (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide

(3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide (PubChem CID 58095504) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide
PubChem CID58095504
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C10H21NOS/c1-9-8-13(5,12)7-6-11(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-,13?/m0/s1
InChIKeyBGZIDLJRRPWVQL-LLTODGECSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide?
The IUPAC name of (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide (CID 58095504) is (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide.
What is the SMILES notation for (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide?
The canonical SMILES for (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide is C=S1(=O)CCN(C(C)(C)C)[C@@H](C)C1.
What is the InChIKey of (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide?
The InChIKey is BGZIDLJRRPWVQL-LLTODGECSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9-8-13(5,12)7-6-11(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-,13?/m0/s1.
What are the key properties of (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide?
(3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide has a molecular weight of 203.35 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane 1-oxide is sourced from PubChem (CID 58095504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).