N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine

C11H18N2S — CID 123728684

IUPACN-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(N2CCSCC2)=CC1
InChIInChI=1S/C11H18N2S/c1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h2,4-5,10,12H,3,6-9H2,1H3
InChIKeyWXTUACHHGDGNSL-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.47
Rot. Bonds2

About N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine

N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine (PubChem CID 123728684) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
PubChem CID123728684
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(N2CCSCC2)=CC1
InChIInChI=1S/C11H18N2S/c1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h2,4-5,10,12H,3,6-9H2,1H3
InChIKeyWXTUACHHGDGNSL-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5-tetrahydro-2H-1,4-benzothiazine
CID 21873687
3,4,6,7-tetrahydro-2H-1,4-benzothiazine
CID 57902842
[7-(Dimethylamino)-5a,9a,10,10a-tetrahydrophenothiazin-3-ylidene]-dimethylazanium
CID 59002657
(1E)-1-[(2E)-2-prop-2-enylidenethiomorpholin-3-ylidene]propan-2-amine
CID 88266701
(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
CID 89129886
N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine
CID 118074636
1-(8aH-thiochromen-4-yl)-2-methylpiperazine
CID 123332781
4-Thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 126490185
3,4,4a,8a-tetrahydro-2H-1,4-benzothiazine
CID 139448436
(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
CID 142253686
4-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-1,4-thiazinane 1-oxide
CID 142416693
2-(2-Propan-2-ylsulfanylethyl)-1,2-dihydropyridine
CID 143040271

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine (CID 123728684) is N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine is CNC1C=CC(N2CCSCC2)=CC1.
What is the InChIKey of N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is WXTUACHHGDGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h2,4-5,10,12H,3,6-9H2,1H3.
What are the key properties of N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine?
N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 210.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123728684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).