ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine

C9H21NS — CID 144624385

IUPACethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine
SMILESCC.CSCC1CCN(C)C1
InChIInChI=1S/C7H15NS.C2H6/c1-8-4-3-7(5-8)6-9-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeySPWPQHGPZUARNX-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.33
Rot. Bonds2

About ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine

ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine (PubChem CID 144624385) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine
PubChem CID144624385
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Nameethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine
SMILESCC.CSCC1CCN(C)C1
InChIInChI=1S/C7H15NS.C2H6/c1-8-4-3-7(5-8)6-9-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeySPWPQHGPZUARNX-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]pyrrolidine
CID 128437504
3-Fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine
CID 130685001
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757
3-Butyl-2-propyl-1,3-thiazolidine
CID 13356758
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
5,5-Dimethyl-3-(2-methylpropyl)-1,3-thiazolidine
CID 9898960
3-Butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 18185948
1-Methyl-3-propylsulfanylpyrrolidine
CID 18722954
3-Butylsulfanyl-1-methylpyrrolidine
CID 18723137
N-[[4-[bis(methylsulfanyl)methyl]-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723538

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine (CID 144624385) is ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine is CC.CSCC1CCN(C)C1.
What is the InChIKey of ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is SPWPQHGPZUARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.C2H6/c1-8-4-3-7(5-8)6-9-2;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine?
ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 175.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 144624385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).