3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine

C9H17NS — CID 143862215

IUPAC3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine
SMILESC=C(CSC)N1CCC(C)C1
InChIInChI=1S/C9H17NS/c1-8-4-5-10(6-8)9(2)7-11-3/h8H,2,4-7H2,1,3H3
InChIKeyJQVDHQXHZBSDJZ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.20
Rot. Bonds3

About 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine

3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine (PubChem CID 143862215) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine
PubChem CID143862215
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine
SMILESC=C(CSC)N1CCC(C)C1
InChIInChI=1S/C9H17NS/c1-8-4-5-10(6-8)9(2)7-11-3/h8H,2,4-7H2,1,3H3
InChIKeyJQVDHQXHZBSDJZ-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethyl-4H-1,3-dithiin-5-yl)pyrrolidine
CID 134850556
2-(3-Methylpyrrolidin-1-yl)prop-2-ene-1-thiol
CID 137401576
3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine
CID 143498347
3-methyl-1-[(3Z)-4-methylsulfanylbuta-1,3-dien-2-yl]pyrrolidine;propane
CID 143498455
But-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
CID 143574322
2-Ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine
CID 167116826
(2S)-N,2-dimethyl-3-methylsulfanyl-N-prop-1-en-2-ylpropan-1-amine
CID 174098200
3-methyl-1-[(3Z)-4-methylsulfanylbuta-1,3-dien-2-yl]pyrrolidine
CID 143498456
3-(3-Methylbut-1-en-2-yl)-1,3-thiazolidine
CID 143574323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine?
The IUPAC name of 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine (CID 143862215) is 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine?
The canonical SMILES for 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine is C=C(CSC)N1CCC(C)C1.
What is the InChIKey of 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine?
The InChIKey is JQVDHQXHZBSDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8-4-5-10(6-8)9(2)7-11-3/h8H,2,4-7H2,1,3H3.
What are the key properties of 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine?
3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine has a molecular weight of 171.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 143862215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).