3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine

C11H21NS — CID 144748198

IUPAC3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine
SMILESCC1CCN(C/C=C/SC(C)C)C1
InChIInChI=1S/C11H21NS/c1-10(2)13-8-4-6-12-7-5-11(3)9-12/h4,8,10-11H,5-7,9H2,1-3H3/b8-4+
InChIKeyMDZNWEDYLNVFEM-XBXARRHUSA-N
MW199.36 g/mol
LogP2.98
Rot. Bonds4

About 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine

3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine (PubChem CID 144748198) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine
PubChem CID144748198
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine
SMILESCC1CCN(C/C=C/SC(C)C)C1
InChIInChI=1S/C11H21NS/c1-10(2)13-8-4-6-12-7-5-11(3)9-12/h4,8,10-11H,5-7,9H2,1-3H3/b8-4+
InChIKeyMDZNWEDYLNVFEM-XBXARRHUSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(Z)-3-methylsulfanylbut-2-enyl]pyrrolidine
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1-(2-Methylsulfanylbut-2-enyl)pyrrolidine
CID 67815103
1-[(Z)-2-methylsulfanylbut-2-enyl]pyrrolidine
CID 88439571
3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine
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3-methyl-1-[(3Z)-4-methylsulfanylbuta-1,3-dien-2-yl]pyrrolidine;propane
CID 143498455
1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine
CID 156519991
Dimethyl-prop-2-enyl-pyrrolidin-1-yl-lambda4-sulfane
CID 170210014
1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine
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CID 72004885
4-[Methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]but-2-ene-1-thiol
CID 80008567

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine?
The IUPAC name of 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine (CID 144748198) is 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine is CC1CCN(C/C=C/SC(C)C)C1.
What is the InChIKey of 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine?
The InChIKey is MDZNWEDYLNVFEM-XBXARRHUSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2)13-8-4-6-12-7-5-11(3)9-12/h4,8,10-11H,5-7,9H2,1-3H3/b8-4+.
What are the key properties of 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine?
3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine has a molecular weight of 199.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine is sourced from PubChem (CID 144748198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).