N,N-bis(ethylsulfanylmethyl)prop-2-enamide

C9H17NOS2 — CID 57103343

IUPACN,N-bis(ethylsulfanylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CSCC)CSCC
InChIInChI=1S/C9H17NOS2/c1-4-9(11)10(7-12-5-2)8-13-6-3/h4H,1,5-8H2,2-3H3
InChIKeyGWDHQVVAXWAZDS-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.42
Rot. Bonds7

About N,N-bis(ethylsulfanylmethyl)prop-2-enamide

N,N-bis(ethylsulfanylmethyl)prop-2-enamide (PubChem CID 57103343) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is N,N-bis(ethylsulfanylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(ethylsulfanylmethyl)prop-2-enamide
PubChem CID57103343
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC NameN,N-bis(ethylsulfanylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CSCC)CSCC
InChIInChI=1S/C9H17NOS2/c1-4-9(11)10(7-12-5-2)8-13-6-3/h4H,1,5-8H2,2-3H3
InChIKeyGWDHQVVAXWAZDS-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethylsulfanylmethyl)prop-2-enamide?
The IUPAC name of N,N-bis(ethylsulfanylmethyl)prop-2-enamide (CID 57103343) is N,N-bis(ethylsulfanylmethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(ethylsulfanylmethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(ethylsulfanylmethyl)prop-2-enamide is C=CC(=O)N(CSCC)CSCC.
What is the InChIKey of N,N-bis(ethylsulfanylmethyl)prop-2-enamide?
The InChIKey is GWDHQVVAXWAZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS2/c1-4-9(11)10(7-12-5-2)8-13-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of N,N-bis(ethylsulfanylmethyl)prop-2-enamide?
N,N-bis(ethylsulfanylmethyl)prop-2-enamide has a molecular weight of 219.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethylsulfanylmethyl)prop-2-enamide is sourced from PubChem (CID 57103343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).