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

C10H21NS — CID 58095518

IUPAC(3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane
SMILESC=S1CCN(C(C)(C)C)[C@H](C)C1
InChIInChI=1S/C10H21NS/c1-9-8-12(5)7-6-11(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-,12?/m1/s1
InChIKeyBUVLCVXANUEJAU-PKEIRNPWSA-N
MW187.35 g/mol
LogP2.19
Rot. Bonds

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

(3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane (PubChem CID 58095518) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane.

Molecular Properties

Compound Name(3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane
PubChem CID58095518
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane
SMILESC=S1CCN(C(C)(C)C)[C@H](C)C1
InChIInChI=1S/C10H21NS/c1-9-8-12(5)7-6-11(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-,12?/m1/s1
InChIKeyBUVLCVXANUEJAU-PKEIRNPWSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.19
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 (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane?
The IUPAC name of (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane (CID 58095518) is (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane.
What is the SMILES notation for (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane?
The canonical SMILES for (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane is C=S1CCN(C(C)(C)C)[C@H](C)C1.
What is the InChIKey of (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane?
The InChIKey is BUVLCVXANUEJAU-PKEIRNPWSA-N. The full InChI is InChI=1S/C10H21NS/c1-9-8-12(5)7-6-11(9)10(2,3)4/h9H,5-8H2,1-4H3/t9-,12?/m1/s1.
What are the key properties of (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane?
(3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane has a molecular weight of 187.35 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-tert-butyl-3-methyl-1-methylidene-1,4-thiazinane is sourced from PubChem (CID 58095518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).