ethane;3-ethylsulfanylpyrrolidine

C8H19NS — CID 143798471

IUPACethane;3-ethylsulfanylpyrrolidine
SMILESCC.CCSC1CCNC1
InChIInChI=1S/C6H13NS.C2H6/c1-2-8-6-3-4-7-5-6;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyMFMHMXMLDFGLAW-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.13
Rot. Bonds2

About ethane;3-ethylsulfanylpyrrolidine

ethane;3-ethylsulfanylpyrrolidine (PubChem CID 143798471) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is ethane;3-ethylsulfanylpyrrolidine.

Molecular Properties

Compound Nameethane;3-ethylsulfanylpyrrolidine
PubChem CID143798471
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Nameethane;3-ethylsulfanylpyrrolidine
SMILESCC.CCSC1CCNC1
InChIInChI=1S/C6H13NS.C2H6/c1-2-8-6-3-4-7-5-6;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyMFMHMXMLDFGLAW-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-propylsulfanylpyrrolidine
CID 89159387
3-(2-methylpropylsulfanyl)pyrrolidine
CID 62329471
3-(2-methylbutylsulfanyl)pyrrolidine
CID 107754752
2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
CID 66229673
(3R)-3-methylsulfanylpyrrolidine
CID 94401655
3-pyrrolidin-3-ylsulfanylpropan-1-ol
CID 66127251
methyl 2-pyrrolidin-3-ylsulfanylacetate
CID 62327248
S-pyrrolidin-3-yl propanethioate
CID 175253290
3-propan-2-ylsulfanylpyrrolidine;hydrochloride
CID 72716432
(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
CID 67294223
ethane;3-ethylpyrrolidine
CID 143803201
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylsulfanylpyrrolidine?
The IUPAC name of ethane;3-ethylsulfanylpyrrolidine (CID 143798471) is ethane;3-ethylsulfanylpyrrolidine.
What is the SMILES notation for ethane;3-ethylsulfanylpyrrolidine?
The canonical SMILES for ethane;3-ethylsulfanylpyrrolidine is CC.CCSC1CCNC1.
What is the InChIKey of ethane;3-ethylsulfanylpyrrolidine?
The InChIKey is MFMHMXMLDFGLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.C2H6/c1-2-8-6-3-4-7-5-6;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-ethylsulfanylpyrrolidine?
ethane;3-ethylsulfanylpyrrolidine has a molecular weight of 161.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylsulfanylpyrrolidine is sourced from PubChem (CID 143798471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).