4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine

C9H17NOS — CID 134986244

IUPAC4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
SMILESCSC(=C(C)C)N1CCOCC1
InChIInChI=1S/C9H17NOS/c1-8(2)9(12-3)10-4-6-11-7-5-10/h4-7H2,1-3H3
InChIKeyXFASFHQSMNCANI-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.93
Rot. Bonds2

About 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine

4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine (PubChem CID 134986244) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
PubChem CID134986244
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
SMILESCSC(=C(C)C)N1CCOCC1
InChIInChI=1S/C9H17NOS/c1-8(2)9(12-3)10-4-6-11-7-5-10/h4-7H2,1-3H3
InChIKeyXFASFHQSMNCANI-UHFFFAOYSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl morpholine-4-carbodithioate
CID 5043631
4-[(Z)-1-methylsulfanylprop-1-enyl]morpholine
CID 134923737
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
methyl morpholine-4-carboximidothioate
CID 8006837
4-(2,4-dimethylpent-2-en-3-yl)morpholine
CID 5100912
ethane;1-morpholin-4-ylethanethione
CID 142226083
methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate
CID 88729252
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
N-(propan-2-ylideneamino)morpholine-4-carboxamide
CID 130660233

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine?
The IUPAC name of 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine (CID 134986244) is 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine.
What is the SMILES notation for 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine?
The canonical SMILES for 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine is CSC(=C(C)C)N1CCOCC1.
What is the InChIKey of 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine?
The InChIKey is XFASFHQSMNCANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-8(2)9(12-3)10-4-6-11-7-5-10/h4-7H2,1-3H3.
What are the key properties of 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine?
4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine has a molecular weight of 187.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine is sourced from PubChem (CID 134986244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).