methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane

C9H19NS — CID 58814888

IUPACmethylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane
SMILESC=S(CC(C)C)N1CCCC1
InChIInChI=1S/C9H19NS/c1-9(2)8-11(3)10-6-4-5-7-10/h9H,3-8H2,1-2H3
InChIKeyHOPRIZRIPFLOPB-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.35
Rot. Bonds3

About methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane

methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane (PubChem CID 58814888) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane.

Molecular Properties

Compound Namemethylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane
PubChem CID58814888
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Namemethylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane
SMILESC=S(CC(C)C)N1CCCC1
InChIInChI=1S/C9H19NS/c1-9(2)8-11(3)10-6-4-5-7-10/h9H,3-8H2,1-2H3
InChIKeyHOPRIZRIPFLOPB-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.35
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-Tert-butylsulfanylpyrrolidine
CID 145103252
2-Methyl-3-pyrrolidin-1-ylpropane-1-thiol
CID 23362475
1-Butylsulfanylpyrrolidine
CID 87497851
1-(2-Methylpropyl)-3-methylsulfanylpyrrolidine
CID 123160143
Trimethyl(2-pyrrolidin-1-ylsulfanylethyl)-lambda4-sulfane
CID 134437343
2-(2-Methylbutyl)-1,2-thiazolidine
CID 138641290
ethane;N-(2-methylpropylsulfanyl)-N-propylbutan-1-amine
CID 142120867
ethane;(1Z)-1-ethylidene-2-methyl-1,2-thiazolidine
CID 144263548
Ethane;3-methyl-1-methylsulfanylpyrrolidine
CID 144625011
1-Methylidene-2-(2-methylpropyl)-1,2-thiazolidine 1-oxide
CID 149507265
Ethyl-dimethyl-pyrrolidin-1-yl-lambda4-sulfane
CID 156226855
Trimethyl-(3-methylpyrrolidin-1-yl)-lambda4-sulfane
CID 165122701

Frequently Asked Questions

What is the IUPAC name of methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane?
The IUPAC name of methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane (CID 58814888) is methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane.
What is the SMILES notation for methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane?
The canonical SMILES for methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane is C=S(CC(C)C)N1CCCC1.
What is the InChIKey of methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane?
The InChIKey is HOPRIZRIPFLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2)8-11(3)10-6-4-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane?
methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane has a molecular weight of 173.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-(2-methylpropyl)-pyrrolidin-1-yl-λ4-sulfane is sourced from PubChem (CID 58814888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).