N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide

C8H11NOS — CID 106427081

IUPACN-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
SMILESC#CCSCCNC(=O)C=C
InChIInChI=1S/C8H11NOS/c1-3-6-11-7-5-9-8(10)4-2/h1,4H,2,5-7H2,(H,9,10)
InChIKeyHWZMIQBDLBHYFN-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.65
Rot. Bonds5

About N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide

N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide (PubChem CID 106427081) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
PubChem CID106427081
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
SMILESC#CCSCCNC(=O)C=C
InChIInChI=1S/C8H11NOS/c1-3-6-11-7-5-9-8(10)4-2/h1,4H,2,5-7H2,(H,9,10)
InChIKeyHWZMIQBDLBHYFN-UHFFFAOYSA-N
XLogP0.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfanylethyl)prop-2-enamide
CID 54468890
3-(2-prop-2-ynylsulfanylethylcarbamoylamino)propanoic acid
CID 106431182
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
N-[2-[(prop-2-enoylamino)disulfanyl]ethyl]prop-2-enamide
CID 163682413
2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427911
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106428040
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
3-[2-(prop-2-enoylamino)ethyldisulfanyl]propanoic acid
CID 86146383
N-[2-(4-oxohex-5-enyldisulfanyl)ethyl]prop-2-enamide
CID 58570202
2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
CID 114187651

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide?
The IUPAC name of N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide (CID 106427081) is N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide?
The canonical SMILES for N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide is C#CCSCCNC(=O)C=C.
What is the InChIKey of N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide?
The InChIKey is HWZMIQBDLBHYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-6-11-7-5-9-8(10)4-2/h1,4H,2,5-7H2,(H,9,10).
What are the key properties of N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide?
N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide has a molecular weight of 169.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide is sourced from PubChem (CID 106427081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).