(3S)-3-methyl-3-methylsulfanylpyrrolidine

C6H13NS — CID 146248048

IUPAC(3S)-3-methyl-3-methylsulfanylpyrrolidine
SMILESCS[C@@]1(C)CCNC1
InChIInChI=1S/C6H13NS/c1-6(8-2)3-4-7-5-6/h7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyCNBZWAQWWIQYQT-LURJTMIESA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds1

About (3S)-3-methyl-3-methylsulfanylpyrrolidine

(3S)-3-methyl-3-methylsulfanylpyrrolidine (PubChem CID 146248048) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (3S)-3-methyl-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-3-methylsulfanylpyrrolidine
PubChem CID146248048
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(3S)-3-methyl-3-methylsulfanylpyrrolidine
SMILESCS[C@@]1(C)CCNC1
InChIInChI=1S/C6H13NS/c1-6(8-2)3-4-7-5-6/h7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyCNBZWAQWWIQYQT-LURJTMIESA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
6,6-dimethyl-1,4-diazocane
CID 139442519
3-methylsulfanylpyrrolidine-3-carboxylic acid
CID 68632027
ethane;(3S)-3-methylpyrrolidine-3-carbonitrile
CID 172607347
3-methyl-3-propylpyrrolidine
CID 22393542
3,3-difluoro-4-methylpiperidin-4-ol
CID 156550387
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146049859
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
(3S)-3-methyl-3-propylpyrrolidine
CID 94411768

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-methylsulfanylpyrrolidine?
The IUPAC name of (3S)-3-methyl-3-methylsulfanylpyrrolidine (CID 146248048) is (3S)-3-methyl-3-methylsulfanylpyrrolidine.
What is the SMILES notation for (3S)-3-methyl-3-methylsulfanylpyrrolidine?
The canonical SMILES for (3S)-3-methyl-3-methylsulfanylpyrrolidine is CS[C@@]1(C)CCNC1.
What is the InChIKey of (3S)-3-methyl-3-methylsulfanylpyrrolidine?
The InChIKey is CNBZWAQWWIQYQT-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NS/c1-6(8-2)3-4-7-5-6/h7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-3-methylsulfanylpyrrolidine?
(3S)-3-methyl-3-methylsulfanylpyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 146248048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).