1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine

C10H19NS — CID 20655853

IUPAC1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine
SMILESCSC1CC(C=C(C)C)N(C)C1
InChIInChI=1S/C10H19NS/c1-8(2)5-9-6-10(12-4)7-11(9)3/h5,9-10H,6-7H2,1-4H3
InChIKeyYYDIQJQPCXCVRE-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine

1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine (PubChem CID 20655853) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine
PubChem CID20655853
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine
SMILESCSC1CC(C=C(C)C)N(C)C1
InChIInChI=1S/C10H19NS/c1-8(2)5-9-6-10(12-4)7-11(9)3/h5,9-10H,6-7H2,1-4H3
InChIKeyYYDIQJQPCXCVRE-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14701675
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CID 14442226
1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 14442227
2-(2,3-Dihydrothiophen-4-yl)-1-methylpyrrolidine
CID 89049489
2-(Cyclooctatetraenyl)-1-(1-methylsulfanylethyl)pyrrolidine
CID 123294419
1-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]propane-1-thiol
CID 138552918
1-(cyclopropylmethyl)-2-[(E)-3-methyl-3-methylsulfanylbut-1-enyl]pyrrolidine
CID 146324095
3-ethyl-5-methyl-3a,4-dihydro-2H-1,3-benzothiazole
CID 154304382
(2R)-2,3-dimethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-thiazolidine
CID 163666290
N,N-dibutyl-3-methylsulfanylcyclopent-3-en-1-amine
CID 163863912
3-methyl-2-propan-2-yl-3a,6,7,7a-tetrahydro-2H-1,3-benzothiazole
CID 176934064
2-[[(E)-5-methylhex-2-enyl]sulfanylmethyl]-1-propan-2-ylpyrrolidine
CID 177980466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine?
The IUPAC name of 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine (CID 20655853) is 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine?
The canonical SMILES for 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine is CSC1CC(C=C(C)C)N(C)C1.
What is the InChIKey of 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine?
The InChIKey is YYDIQJQPCXCVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)5-9-6-10(12-4)7-11(9)3/h5,9-10H,6-7H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine?
1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylprop-1-enyl)-4-methylsulfanylpyrrolidine is sourced from PubChem (CID 20655853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).