dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane

C9H19NS — CID 170210014

IUPACdimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane
SMILESC=CCS(C)(C)N1CCCC1
InChIInChI=1S/C9H19NS/c1-4-9-11(2,3)10-7-5-6-8-10/h4H,1,5-9H2,2-3H3
InChIKeyIMKJKGUONRCOCQ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.25
Rot. Bonds3

About dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane

dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane (PubChem CID 170210014) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane
PubChem CID170210014
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Namedimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane
SMILESC=CCS(C)(C)N1CCCC1
InChIInChI=1S/C9H19NS/c1-4-9-11(2,3)10-7-5-6-8-10/h4H,1,5-9H2,2-3H3
InChIKeyIMKJKGUONRCOCQ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane?
The IUPAC name of dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane (CID 170210014) is dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane.
What is the SMILES notation for dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane?
The canonical SMILES for dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane is C=CCS(C)(C)N1CCCC1.
What is the InChIKey of dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane?
The InChIKey is IMKJKGUONRCOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-9-11(2,3)10-7-5-6-8-10/h4H,1,5-9H2,2-3H3.
What are the key properties of dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane?
dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane has a molecular weight of 173.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-prop-2-enyl-pyrrolidin-1-yl-λ4-sulfane is sourced from PubChem (CID 170210014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).