1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine

C9H17NS — CID 158870134

IUPAC1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine
SMILESC=C1CC(SC(C)C)CN1C
InChIInChI=1S/C9H17NS/c1-7(2)11-9-5-8(3)10(4)6-9/h7,9H,3,5-6H2,1-2,4H3
InChIKeyFHGBEXYBLCWXPZ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.35
Rot. Bonds2

About 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine

1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine (PubChem CID 158870134) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine
PubChem CID158870134
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine
SMILESC=C1CC(SC(C)C)CN1C
InChIInChI=1S/C9H17NS/c1-7(2)11-9-5-8(3)10(4)6-9/h7,9H,3,5-6H2,1-2,4H3
InChIKeyFHGBEXYBLCWXPZ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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
1-(2,2-dimethyl-4H-1,3-dithiin-5-yl)pyrrolidine
CID 134850556
1-Methyl-2-methylidene-4-methylsulfanylpyrrolidine
CID 58709431
2,5-Dimethylidene-1-(2-methylidene-4-prop-1-en-2-ylsulfanylbutyl)pyrrolidine
CID 89223896
4-Pent-1-en-2-ylthiomorpholine
CID 89706674
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-Oct-1-en-2-yl-1,3-thiazolidine
CID 135303707
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
The IUPAC name of 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine (CID 158870134) is 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine.
What is the SMILES notation for 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
The canonical SMILES for 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine is C=C1CC(SC(C)C)CN1C.
What is the InChIKey of 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
The InChIKey is FHGBEXYBLCWXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)11-9-5-8(3)10(4)6-9/h7,9H,3,5-6H2,1-2,4H3.
What are the key properties of 1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine?
1-methyl-2-methylidene-4-propan-2-ylsulfanylpyrrolidine has a molecular weight of 171.31 g/mol, XLogP of 2.35, 2 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-propan-2-ylsulfanylpyrrolidine is sourced from PubChem (CID 158870134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).