2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide

C6H11NOS — CID 134338956

IUPAC2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
SMILESC=C(C)C(=O)N[C@H](C)S
InChIInChI=1S/C6H11NOS/c1-4(2)6(8)7-5(3)9/h5,9H,1H2,2-3H3,(H,7,8)/t5-/m0/s1
InChIKeyOAIUQNOSQQLORG-YFKPBYRVSA-N
MW145.23 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide

2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide (PubChem CID 134338956) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
PubChem CID134338956
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
SMILESC=C(C)C(=O)N[C@H](C)S
InChIInChI=1S/C6H11NOS/c1-4(2)6(8)7-5(3)9/h5,9H,1H2,2-3H3,(H,7,8)/t5-/m0/s1
InChIKeyOAIUQNOSQQLORG-YFKPBYRVSA-N
XLogP0.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
sodium 3-(2-methylprop-2-enoylamino)butane-2-sulfonate
CID 23708288
triethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943537
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473
N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide
CID 178173996
hydroxy-[2-methyl-1-(2-methylprop-2-enoylamino)propyl]-oxophosphanium
CID 87336798
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
bis(2-methylprop-2-enoylamino)methanesulfonate
CID 140789010
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide (CID 134338956) is 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide is C=C(C)C(=O)N[C@H](C)S.
What is the InChIKey of 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide?
The InChIKey is OAIUQNOSQQLORG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4(2)6(8)7-5(3)9/h5,9H,1H2,2-3H3,(H,7,8)/t5-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide?
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide has a molecular weight of 145.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide is sourced from PubChem (CID 134338956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).