2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide

C9H17NOS — CID 11321402

IUPAC2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide
SMILESC=C(SCC)C(=O)N(C)C(C)C
InChIInChI=1S/C9H17NOS/c1-6-12-8(4)9(11)10(5)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyANZYWKCJNXFRLO-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.12
Rot. Bonds4

About 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide

2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide (PubChem CID 11321402) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide
PubChem CID11321402
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide
SMILESC=C(SCC)C(=O)N(C)C(C)C
InChIInChI=1S/C9H17NOS/c1-6-12-8(4)9(11)10(5)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyANZYWKCJNXFRLO-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide (CID 11321402) is 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide is C=C(SCC)C(=O)N(C)C(C)C.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide?
The InChIKey is ANZYWKCJNXFRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6-12-8(4)9(11)10(5)7(2)3/h7H,4,6H2,1-3,5H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide?
2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide has a molecular weight of 187.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 11321402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).