[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine

C9H20N2S — CID 112702102

IUPAC[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
SMILESCCSCCN1CCCC1CN
InChIInChI=1S/C9H20N2S/c1-2-12-7-6-11-5-3-4-9(11)8-10/h9H,2-8,10H2,1H3
InChIKeyVVKKQNLRVQBWIE-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds5

About [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine

[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine (PubChem CID 112702102) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
PubChem CID112702102
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
SMILESCCSCCN1CCCC1CN
InChIInChI=1S/C9H20N2S/c1-2-12-7-6-11-5-3-4-9(11)8-10/h9H,2-8,10H2,1H3
InChIKeyVVKKQNLRVQBWIE-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115645119
[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
CID 103089527
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758845
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine
CID 84680522
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine
CID 59293958
(1-butylazepan-2-yl)methanamine
CID 116640391
[1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride
CID 120836929

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine (CID 112702102) is [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine is CCSCCN1CCCC1CN.
What is the InChIKey of [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is VVKKQNLRVQBWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-12-7-6-11-5-3-4-9(11)8-10/h9H,2-8,10H2,1H3.
What are the key properties of [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine?
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 112702102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).