1-methyl-2-methylidene-4-methylsulfanylpyrrolidine

C7H13NS — CID 58709431

IUPAC1-methyl-2-methylidene-4-methylsulfanylpyrrolidine
SMILESC=C1CC(SC)CN1C
InChIInChI=1S/C7H13NS/c1-6-4-7(9-3)5-8(6)2/h7H,1,4-5H2,2-3H3
InChIKeyJAPZSLYDSRDXRR-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.57
Rot. Bonds1

About 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine

1-methyl-2-methylidene-4-methylsulfanylpyrrolidine (PubChem CID 58709431) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-methylsulfanylpyrrolidine
PubChem CID58709431
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-methyl-2-methylidene-4-methylsulfanylpyrrolidine
SMILESC=C1CC(SC)CN1C
InChIInChI=1S/C7H13NS/c1-6-4-7(9-3)5-8(6)2/h7H,1,4-5H2,2-3H3
InChIKeyJAPZSLYDSRDXRR-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-Dihydro-2H-thiopyran-5-yl)pyrrolidine
CID 12910988
2,5-Dimethylidene-1-(2-methylidene-4-prop-1-en-2-ylsulfanylbutyl)pyrrolidine
CID 89223896
2-Methylidene-1-(1-methylsulfanylethenyl)pyrrolidine
CID 123480432
2,5-Dimethylidene-1-propan-2-ylpyrrolidine-3-thiol
CID 130291572
1-Methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
CID 130293284
3-Ethylsulfanyl-1-methyl-2,5-dimethylidenepyrrolidine
CID 137505121
2,5-Dimethylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
CID 138475647
5-Ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine
CID 139326385
2-(2-Methylidenepyrrolidin-1-yl)ethanethiol
CID 142105892
(2Z)-1-methyl-3-methylidene-2-(methylsulfanylmethylidene)pyrrolidine
CID 146176897
1,5-Dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine
CID 156553697
1-Butan-2-yl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
CID 166654541

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine?
The IUPAC name of 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine (CID 58709431) is 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine?
The canonical SMILES for 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine is C=C1CC(SC)CN1C.
What is the InChIKey of 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine?
The InChIKey is JAPZSLYDSRDXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-4-7(9-3)5-8(6)2/h7H,1,4-5H2,2-3H3.
What are the key properties of 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine?
1-methyl-2-methylidene-4-methylsulfanylpyrrolidine has a molecular weight of 143.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4-methylsulfanylpyrrolidine is sourced from PubChem (CID 58709431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).