2-butylidene-3-methyl-1,3-thiazinane

C9H17NS — CID 123302051

IUPAC2-butylidene-3-methyl-1,3-thiazinane
SMILESCCCC=C1SCCCN1C
InChIInChI=1S/C9H17NS/c1-3-4-6-9-10(2)7-5-8-11-9/h6H,3-5,7-8H2,1-2H3
InChIKeyCVHAPPCQOHAGRL-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.70
Rot. Bonds2

About 2-butylidene-3-methyl-1,3-thiazinane

2-butylidene-3-methyl-1,3-thiazinane (PubChem CID 123302051) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-butylidene-3-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-butylidene-3-methyl-1,3-thiazinane
PubChem CID123302051
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-butylidene-3-methyl-1,3-thiazinane
SMILESCCCC=C1SCCCN1C
InChIInChI=1S/C9H17NS/c1-3-4-6-9-10(2)7-5-8-11-9/h6H,3-5,7-8H2,1-2H3
InChIKeyCVHAPPCQOHAGRL-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
CID 68343885
1,2-dimethyl-4-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
CID 68343979
1-ethyl-4-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
CID 68344060
1-(2-Methyl-2,3-dihydrothiophen-5-yl)piperidine
CID 89399017
ethane;7-methyl-8-methylidene-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine
CID 91235376
6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
CID 123995452
(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
CID 139538978
N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
CID 142050819
N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine
CID 142050904
Ethane;3-methyl-4-methylidene-1,3-thiazinane
CID 144152527
4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
CID 57359426

Frequently Asked Questions

What is the IUPAC name of 2-butylidene-3-methyl-1,3-thiazinane?
The IUPAC name of 2-butylidene-3-methyl-1,3-thiazinane (CID 123302051) is 2-butylidene-3-methyl-1,3-thiazinane.
What is the SMILES notation for 2-butylidene-3-methyl-1,3-thiazinane?
The canonical SMILES for 2-butylidene-3-methyl-1,3-thiazinane is CCCC=C1SCCCN1C.
What is the InChIKey of 2-butylidene-3-methyl-1,3-thiazinane?
The InChIKey is CVHAPPCQOHAGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-4-6-9-10(2)7-5-8-11-9/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 2-butylidene-3-methyl-1,3-thiazinane?
2-butylidene-3-methyl-1,3-thiazinane has a molecular weight of 171.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylidene-3-methyl-1,3-thiazinane is sourced from PubChem (CID 123302051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).