ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine

C12H27NS — CID 145416385

IUPACethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine
SMILESCC.CCSCC1(CC)CCN(C)C1
InChIInChI=1S/C10H21NS.C2H6/c1-4-10(9-12-5-2)6-7-11(3)8-10;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyMJRPNUCEVYSFQT-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.50
Rot. Bonds4

About ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine

ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine (PubChem CID 145416385) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Nameethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine
PubChem CID145416385
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Nameethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine
SMILESCC.CCSCC1(CC)CCN(C)C1
InChIInChI=1S/C10H21NS.C2H6/c1-4-10(9-12-5-2)6-7-11(3)8-10;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyMJRPNUCEVYSFQT-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine 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

N,N-Dimethyl-3-(8-thia-2-azaspiro(4.5)dec-2-yl)-1-propanamine
CID 417531
N,N-dimethyl-3-(8-thia-2-azaspiro[4.5]decan-2-yl)propan-1-amine;hydrochloride
CID 54610053
3-(3,3-Dimethylbutyl)-1,3-thiazolidine
CID 20774319
3-(4,4-Dimethylpentyl)-1,3-thiazolidine
CID 20774326
7-Tert-butyl-2-thia-7-azaspiro[4.4]nonane
CID 68023397
7-Ethyl-2-thia-7-azaspiro[4.4]nonane
CID 68029722
2-Methyl-7-thia-2-azaspiro[4.5]decane
CID 89257216
1,3-Dimethyl-2-(methylsulfanylmethyl)pyrrolidine
CID 89385795
7-Methyl-2-thia-7-azaspiro[4.4]nonane
CID 89578827
3-(5,5-Dimethylhexyl)-1,3-thiazolidine
CID 89747579
7-Isopropyl-2-thia-7-azaspiro[4.4]nonane
CID 123397897
8-Methyl-2-thia-8-azaspiro[4.5]decane
CID 123683470

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine?
The IUPAC name of ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine (CID 145416385) is ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine.
What is the SMILES notation for ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine?
The canonical SMILES for ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine is CC.CCSCC1(CC)CCN(C)C1.
What is the InChIKey of ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine?
The InChIKey is MJRPNUCEVYSFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS.C2H6/c1-4-10(9-12-5-2)6-7-11(3)8-10;1-2/h4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine?
ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine has a molecular weight of 217.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine is sourced from PubChem (CID 145416385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).