N-ethyl-2-prop-1-en-2-ylsulfanylacetamide

C7H13NOS — CID 91343536

IUPACN-ethyl-2-prop-1-en-2-ylsulfanylacetamide
SMILESC=C(C)SCC(=O)NCC
InChIInChI=1S/C7H13NOS/c1-4-8-7(9)5-10-6(2)3/h2,4-5H2,1,3H3,(H,8,9)
InChIKeyYVCMFCANIGBXAD-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.39
Rot. Bonds4

About N-ethyl-2-prop-1-en-2-ylsulfanylacetamide

N-ethyl-2-prop-1-en-2-ylsulfanylacetamide (PubChem CID 91343536) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N-ethyl-2-prop-1-en-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-prop-1-en-2-ylsulfanylacetamide
PubChem CID91343536
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN-ethyl-2-prop-1-en-2-ylsulfanylacetamide
SMILESC=C(C)SCC(=O)NCC
InChIInChI=1S/C7H13NOS/c1-4-8-7(9)5-10-6(2)3/h2,4-5H2,1,3H3,(H,8,9)
InChIKeyYVCMFCANIGBXAD-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-prop-1-en-2-ylsulfanylacetamide?
The IUPAC name of N-ethyl-2-prop-1-en-2-ylsulfanylacetamide (CID 91343536) is N-ethyl-2-prop-1-en-2-ylsulfanylacetamide.
What is the SMILES notation for N-ethyl-2-prop-1-en-2-ylsulfanylacetamide?
The canonical SMILES for N-ethyl-2-prop-1-en-2-ylsulfanylacetamide is C=C(C)SCC(=O)NCC.
What is the InChIKey of N-ethyl-2-prop-1-en-2-ylsulfanylacetamide?
The InChIKey is YVCMFCANIGBXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-8-7(9)5-10-6(2)3/h2,4-5H2,1,3H3,(H,8,9).
What are the key properties of N-ethyl-2-prop-1-en-2-ylsulfanylacetamide?
N-ethyl-2-prop-1-en-2-ylsulfanylacetamide has a molecular weight of 159.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-prop-1-en-2-ylsulfanylacetamide is sourced from PubChem (CID 91343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).