methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate

C10H17NO2S — CID 143902900

IUPACmethyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate
SMILESC=CCSC1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C10H17NO2S/c1-4-5-14-8-6-9(10(12)13-3)11(2)7-8/h4,8-9H,1,5-7H2,2-3H3
InChIKeyKITWNBPVCLATOK-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.15
Rot. Bonds4

About methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate

methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate (PubChem CID 143902900) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate
PubChem CID143902900
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namemethyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate
SMILESC=CCSC1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C10H17NO2S/c1-4-5-14-8-6-9(10(12)13-3)11(2)7-8/h4,8-9H,1,5-7H2,2-3H3
InChIKeyKITWNBPVCLATOK-UHFFFAOYSA-N
XLogP1.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
2-O-methyl 1-O-prop-2-enyl 4-acetylsulfanylpyrrolidine-1,2-dicarboxylate
CID 19906189
methyl (2S,4R)-1-methyl-4-[(2-propan-2-ylsulfanylacetyl)amino]pyrrolidine-2-carboxylate
CID 50961504
methyl (2S,4S)-4-(2,2-dimethylpropoxycarbonylamino)-1-methylpyrrolidine-2-carboxylate
CID 50973945
methyl (2S,4R)-4-[[2-(azocan-1-yl)acetyl]amino]-1-methylpyrrolidine-2-carboxylate
CID 50978782
1-O-tert-butyl 2-O-methyl (2S,4S)-5-hydroxy-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 11460327
methyl (2S,4S)-1-methyl-4-(1H-1,2,4-triazole-5-carbonylamino)pyrrolidine-2-carboxylate
CID 50972787
1-O-tert-butyl 2-O-methyl (2S,4S,5R)-5-dimethoxyphosphoryl-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 11552577
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
CID 112632836
1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone
CID 20660431
methyl 3-methyl-1,3-oxazolidine-4-carboxylate
CID 10701946

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate (CID 143902900) is methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate is C=CCSC1CC(C(=O)OC)N(C)C1.
What is the InChIKey of methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate?
The InChIKey is KITWNBPVCLATOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-4-5-14-8-6-9(10(12)13-3)11(2)7-8/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate?
methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate has a molecular weight of 215.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-prop-2-enylsulfanylpyrrolidine-2-carboxylate is sourced from PubChem (CID 143902900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).