2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide

C10H21NOS — CID 130621097

IUPAC2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
SMILESCC(C)CN1CC(C)S(=O)C(C)C1
InChIInChI=1S/C10H21NOS/c1-8(2)5-11-6-9(3)13(12)10(4)7-11/h8-10H,5-7H2,1-4H3
InChIKeyRZEMXKFZCRHLKR-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.48
Rot. Bonds2

About 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide

2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide (PubChem CID 130621097) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
PubChem CID130621097
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
SMILESCC(C)CN1CC(C)S(=O)C(C)C1
InChIInChI=1S/C10H21NOS/c1-8(2)5-11-6-9(3)13(12)10(4)7-11/h8-10H,5-7H2,1-4H3
InChIKeyRZEMXKFZCRHLKR-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(2-methylpropyl)piperidine
CID 20562086
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
3-cyclopropyl-1-(2-methylpropyl)azetidine
CID 126994705
9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54349876
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
3-isocyano-1-(2-methylpropyl)azetidine
CID 158704531
3-[1-(2-methylpropyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183950
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide
CID 126996805
N-ethyl-N-methyl-1-(2-methylpropyl)azetidin-3-amine
CID 148768564
2-(iodomethyl)-6-methyl-4-(2-methylpropyl)morpholine
CID 129095828
5-methyl-1-(2-methylpropyl)azepan-4-one
CID 174742016

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide (CID 130621097) is 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide is CC(C)CN1CC(C)S(=O)C(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide?
The InChIKey is RZEMXKFZCRHLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)5-11-6-9(3)13(12)10(4)7-11/h8-10H,5-7H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide?
2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide has a molecular weight of 203.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130621097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).