(2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine

C9H19NS — CID 155070459

IUPAC(2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine
SMILESCSC1C[C@@H](C(C)C)N(C)C1
InChIInChI=1S/C9H19NS/c1-7(2)9-5-8(11-4)6-10(9)3/h7-9H,5-6H2,1-4H3/t8?,9-/m0/s1
InChIKeyGSKQLXKJNDRFKE-GKAPJAKFSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds2

About (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine

(2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine (PubChem CID 155070459) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine
PubChem CID155070459
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine
SMILESCSC1C[C@@H](C(C)C)N(C)C1
InChIInChI=1S/C9H19NS/c1-7(2)9-5-8(11-4)6-10(9)3/h7-9H,5-6H2,1-4H3/t8?,9-/m0/s1
InChIKeyGSKQLXKJNDRFKE-GKAPJAKFSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine 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

4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
CID 67725268
(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 158471466
1-methyl-5-propan-2-ylpyrrolidin-3-amine
CID 83855177
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)ethanone
CID 20660431
(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 167547776
(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 146933740
1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
CID 158471478
methane;N-(1-methyl-5-propan-2-ylpyrrolidin-3-yl)formamide
CID 143936298
1-(3-methylbutyl)-3-methylsulfanylazetidine
CID 59761969
1-methyl-2-propan-2-ylazetidine
CID 23588958
1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178105166

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine (CID 155070459) is (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine is CSC1C[C@@H](C(C)C)N(C)C1.
What is the InChIKey of (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine?
The InChIKey is GSKQLXKJNDRFKE-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)9-5-8(11-4)6-10(9)3/h7-9H,5-6H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine?
(2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-4-methylsulfanyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 155070459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).