3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide

C10H21NOS — CID 130651968

IUPAC3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide
SMILESCC(C)CCN1CCS(=O)CC1C
InChIInChI=1S/C10H21NOS/c1-9(2)4-5-11-6-7-13(12)8-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyQHWCKNHXSCACCA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds3

About 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide

3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide (PubChem CID 130651968) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide
PubChem CID130651968
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide
SMILESCC(C)CCN1CCS(=O)CC1C
InChIInChI=1S/C10H21NOS/c1-9(2)4-5-11-6-7-13(12)8-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyQHWCKNHXSCACCA-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130775734
7-methyl-1-(3-methylbutyl)-1,4-diazepane
CID 64870978
6-methyl-1-(3-methylbutyl)piperidin-3-amine
CID 61238617
2-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N,N-di(propan-2-yl)acetamide
CID 100645099
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide
CID 58459890
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
2-methyl-1-(4-methylpentyl)piperazine
CID 64931123
(3aR,6aR)-1-(3-methylbutyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 124825494
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide (CID 130651968) is 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide is CC(C)CCN1CCS(=O)CC1C.
What is the InChIKey of 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide?
The InChIKey is QHWCKNHXSCACCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2)4-5-11-6-7-13(12)8-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide?
3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide has a molecular weight of 203.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130651968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).