4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine

C8H15NS — CID 123498185

IUPAC4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C(SC)C1CC(C)CN1
InChIInChI=1S/C8H15NS/c1-6-4-8(9-5-6)7(2)10-3/h6,8-9H,2,4-5H2,1,3H3
InChIKeyDLGZTTLUTCTRIE-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine

4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine (PubChem CID 123498185) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine.

Molecular Properties

Compound Name4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine
PubChem CID123498185
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C(SC)C1CC(C)CN1
InChIInChI=1S/C8H15NS/c1-6-4-8(9-5-6)7(2)10-3/h6,8-9H,2,4-5H2,1,3H3
InChIKeyDLGZTTLUTCTRIE-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methylidene-2-(2-methylsulfanylethyl)pyrrolidine
CID 90184361
(5S)-4-methylidene-5-(2-methylsulfanylethyl)pyrrolidine-2-thiol
CID 130316404
4-methyl-2-[(E)-3-methylsulfanylprop-1-enyl]pyrrolidine
CID 146324192
(4R)-N-[(2R)-butan-2-yl]-4-methyl-3-methylidene-5-methylsulfanylpentan-1-amine
CID 163480983
N-[(2-methylthiolan-2-yl)methyl]hex-5-en-2-amine
CID 104582983
N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine
CID 105163655
2-methyl-N-propyl-1-(thiolan-3-yl)prop-2-en-1-amine
CID 105163664
N-[(2-methylthiolan-2-yl)methyl]but-3-en-2-amine
CID 107907376
3-methyl-N-[(2-methylthiolan-2-yl)methyl]hex-5-en-2-amine
CID 115728216
3-(1-Methylsulfanylethenyl)-2-propan-2-ylpyrrolidine
CID 129995776

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine?
The IUPAC name of 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine (CID 123498185) is 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine.
What is the SMILES notation for 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine?
The canonical SMILES for 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine is C=C(SC)C1CC(C)CN1.
What is the InChIKey of 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine?
The InChIKey is DLGZTTLUTCTRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-4-8(9-5-6)7(2)10-3/h6,8-9H,2,4-5H2,1,3H3.
What are the key properties of 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine?
4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylsulfanylethenyl)pyrrolidine is sourced from PubChem (CID 123498185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).