ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine

C12H27NS — CID 145416358

IUPACethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine
SMILESCC.CCCSC1(CC)CCN(C)C1
InChIInChI=1S/C10H21NS.C2H6/c1-4-8-12-10(5-2)6-7-11(3)9-10;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyHXVBZULHVDPNTE-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.64
Rot. Bonds4

About ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine

ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine (PubChem CID 145416358) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine.

Molecular Properties

Compound Nameethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine
PubChem CID145416358
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Nameethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine
SMILESCC.CCCSC1(CC)CCN(C)C1
InChIInChI=1S/C10H21NS.C2H6/c1-4-8-12-10(5-2)6-7-11(3)9-10;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyHXVBZULHVDPNTE-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine 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

2,8-Dimethyl-1,3-dithia-8-aza-spiro[4.5]decane
CID 13690090
Thiazolidine, 3-(5-(pentylthio)pentyl)-, hydrochloride
CID 218549
Thiazolidine, 3-(5-(propylthio)pentyl)-, hydrochloride
CID 3038854
Thiazolidine, 3-(5-(butylthio)pentyl)-, hydrochloride
CID 3038856
N,N-Dimethyl-3-(8-thia-2-azaspiro(4.5)dec-2-yl)-1-propanamine
CID 417531
(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine
CID 146490757
1-(3-Ethyl-2-methylthietan-3-yl)pyrrolidine
CID 134881531
3-(5-Pentylsulfanylpentyl)-1,3-thiazolidine
CID 218550
3-(5-Propylsulfanylpentyl)-1,3-thiazolidine
CID 3038855
3-(5-Butylsulfanylpentyl)-1,3-thiazolidine
CID 3038857
3-(5-Hexylsulfanylpentyl)-1,3-thiazolidine
CID 3038859
3-(6-Ethylsulfanylhexyl)-1,3-thiazolidine
CID 3038867

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine?
The IUPAC name of ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine (CID 145416358) is ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine.
What is the SMILES notation for ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine?
The canonical SMILES for ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine is CC.CCCSC1(CC)CCN(C)C1.
What is the InChIKey of ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine?
The InChIKey is HXVBZULHVDPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS.C2H6/c1-4-8-12-10(5-2)6-7-11(3)9-10;1-2/h4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine?
ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine has a molecular weight of 217.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methyl-3-propylsulfanylpyrrolidine is sourced from PubChem (CID 145416358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).