2-but-2-enylsulfonyl-N-cyclopropylacetamide

C9H15NO3S — CID 76865490

IUPAC2-but-2-enylsulfonyl-N-cyclopropylacetamide
SMILESCC=CCS(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C9H15NO3S/c1-2-3-6-14(12,13)7-9(11)10-8-4-5-8/h2-3,8H,4-7H2,1H3,(H,10,11)
InChIKeyQIOPRDBKBQIANO-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.26
Rot. Bonds5

About 2-but-2-enylsulfonyl-N-cyclopropylacetamide

2-but-2-enylsulfonyl-N-cyclopropylacetamide (PubChem CID 76865490) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-but-2-enylsulfonyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-but-2-enylsulfonyl-N-cyclopropylacetamide
PubChem CID76865490
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2-but-2-enylsulfonyl-N-cyclopropylacetamide
SMILESCC=CCS(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C9H15NO3S/c1-2-3-6-14(12,13)7-9(11)10-8-4-5-8/h2-3,8H,4-7H2,1H3,(H,10,11)
InChIKeyQIOPRDBKBQIANO-UHFFFAOYSA-N
XLogP0.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclopropyldecanediamide
CID 4668836
3-[2-(cycloheptylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 62575643
N-cyclopropyl-2-propan-2-ylsulfonylacetamide
CID 87023654
(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide
CID 95652956
N,N'-dicyclopropylbutanediamide
CID 5225156
2-but-2-enylsulfonyl-N-cyclohexylpropanamide
CID 72686246
2-[2-(cyclohexylamino)-2-oxoethyl]sulfonylacetic acid
CID 43186070
N-cyclopropyl-2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetamide
CID 114232785
2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide
CID 114232575
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate
CID 114232365

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylsulfonyl-N-cyclopropylacetamide?
The IUPAC name of 2-but-2-enylsulfonyl-N-cyclopropylacetamide (CID 76865490) is 2-but-2-enylsulfonyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-but-2-enylsulfonyl-N-cyclopropylacetamide?
The canonical SMILES for 2-but-2-enylsulfonyl-N-cyclopropylacetamide is CC=CCS(=O)(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-but-2-enylsulfonyl-N-cyclopropylacetamide?
The InChIKey is QIOPRDBKBQIANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-3-6-14(12,13)7-9(11)10-8-4-5-8/h2-3,8H,4-7H2,1H3,(H,10,11).
What are the key properties of 2-but-2-enylsulfonyl-N-cyclopropylacetamide?
2-but-2-enylsulfonyl-N-cyclopropylacetamide has a molecular weight of 217.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylsulfonyl-N-cyclopropylacetamide is sourced from PubChem (CID 76865490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).