(2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide

C12H22N2O2S — CID 134569862

IUPAC(2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide
SMILESC=CSC[C@H](NC(=O)CC)C(=O)N(CC)CC
InChIInChI=1S/C12H22N2O2S/c1-5-11(15)13-10(9-17-8-4)12(16)14(6-2)7-3/h8,10H,4-7,9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeySDQVROIASUAJQP-JTQLQIEISA-N
MW258.39 g/mol
LogP1.63
Rot. Bonds8

About (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide

(2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide (PubChem CID 134569862) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide
PubChem CID134569862
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name(2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide
SMILESC=CSC[C@H](NC(=O)CC)C(=O)N(CC)CC
InChIInChI=1S/C12H22N2O2S/c1-5-11(15)13-10(9-17-8-4)12(16)14(6-2)7-3/h8,10H,4-7,9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeySDQVROIASUAJQP-JTQLQIEISA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide?
The IUPAC name of (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide (CID 134569862) is (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide.
What is the SMILES notation for (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide?
The canonical SMILES for (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide is C=CSC[C@H](NC(=O)CC)C(=O)N(CC)CC.
What is the InChIKey of (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide?
The InChIKey is SDQVROIASUAJQP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-5-11(15)13-10(9-17-8-4)12(16)14(6-2)7-3/h8,10H,4-7,9H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide?
(2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide has a molecular weight of 258.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethenylsulfanyl-N,N-diethyl-2-(propanoylamino)propanamide is sourced from PubChem (CID 134569862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).