ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane

C7H15NS — CID 154648202

IUPACethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane
SMILESC=S(CC)N1CCCC1
InChIInChI=1S/C7H15NS/c1-3-9(2)8-6-4-5-7-8/h2-7H2,1H3
InChIKeyIGEVUMQZBCBTIN-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.72
Rot. Bonds2

About ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane

ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane (PubChem CID 154648202) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane.

Molecular Properties

Compound Nameethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane
PubChem CID154648202
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane
SMILESC=S(CC)N1CCCC1
InChIInChI=1S/C7H15NS/c1-3-9(2)8-6-4-5-7-8/h2-7H2,1H3
InChIKeyIGEVUMQZBCBTIN-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methylsulfanylpyrrolidine
CID 15113339
2-Methyl-1,2-thiazolidine
CID 13493124
2-Ethyl-1,2-thiazolidine
CID 13493125
1-(2-Methylsulfanylethyl)pyrrolidine
CID 21653149
1-Methylidene-2-propan-2-yl-1,2-thiazolidine
CID 57529284
2,3-Dimethyl-1-methylidene-1,2-thiazolidine
CID 58782516
Methylidene-(2-methylpropyl)-pyrrolidin-1-yl-lambda4-sulfane
CID 58814888
1-Propylsulfanylpyrrolidine
CID 85899412
2-Methyl-1-methylidene-1,2-thiazolidine
CID 87152489
1-Butylsulfanylpyrrolidine
CID 87497851
2-Propyl-1,2-thiazolidine
CID 90701045
Trimethyl(pyrrolidin-1-yl)-lambda4-sulfane
CID 123572979

Frequently Asked Questions

What is the IUPAC name of ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
The IUPAC name of ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane (CID 154648202) is ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane.
What is the SMILES notation for ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
The canonical SMILES for ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane is C=S(CC)N1CCCC1.
What is the InChIKey of ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
The InChIKey is IGEVUMQZBCBTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-9(2)8-6-4-5-7-8/h2-7H2,1H3.
What are the key properties of ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane?
ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane has a molecular weight of 145.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidene-pyrrolidin-1-yl-λ4-sulfane is sourced from PubChem (CID 154648202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).