(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine

C8H15NS — CID 163477615

IUPAC(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C(SC)N1CC[C@H](C)C1
InChIInChI=1S/C8H15NS/c1-7-4-5-9(6-7)8(2)10-3/h7H,2,4-6H2,1,3H3/t7-/m0/s1
InChIKeyCBUGQCPJGBHGSJ-ZETCQYMHSA-N
MW157.28 g/mol
LogP2.16
Rot. Bonds2

About (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine

(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine (PubChem CID 163477615) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine
PubChem CID163477615
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C(SC)N1CC[C@H](C)C1
InChIInChI=1S/C8H15NS/c1-7-4-5-9(6-7)8(2)10-3/h7H,2,4-6H2,1,3H3/t7-/m0/s1
InChIKeyCBUGQCPJGBHGSJ-ZETCQYMHSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Methylsulfanylethenyl)pyrrolidine
CID 102249014
3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine
CID 143498347
1-[(Z)-1-methylsulfanylprop-1-enyl]pyrrolidine
CID 21721328
3,5-Diethyl-2-methylidene-1,3-thiazolidine
CID 143042511

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine?
The IUPAC name of (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine (CID 163477615) is (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine.
What is the SMILES notation for (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine?
The canonical SMILES for (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine is C=C(SC)N1CC[C@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine?
The InChIKey is CBUGQCPJGBHGSJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-4-5-9(6-7)8(2)10-3/h7H,2,4-6H2,1,3H3/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine?
(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine is sourced from PubChem (CID 163477615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).