N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide

C10H19NO3S — CID 123332492

IUPACN-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)C(C)(C)CC
InChIInChI=1S/C10H19NO3S/c1-5-9(12)11-7-8-15(13,14)10(3,4)6-2/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyVRUZFWABBZFKEK-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.89
Rot. Bonds6

About N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide

N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide (PubChem CID 123332492) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide
PubChem CID123332492
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)C(C)(C)CC
InChIInChI=1S/C10H19NO3S/c1-5-9(12)11-7-8-15(13,14)10(3,4)6-2/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyVRUZFWABBZFKEK-UHFFFAOYSA-N
XLogP0.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide
CID 138622924
N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205
1-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]butane-2-sulfonic acid
CID 87757557
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
4-(prop-2-enoylamino)butanamide
CID 60864661
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
8-(prop-2-enoylamino)octane-1-sulfonic acid
CID 21454264
2,2-dimethyl-4-(prop-2-enoylamino)butanoic acid
CID 174997807
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
N-(3-aminopropyl)prop-2-enamide;propane-1-sulfonic acid
CID 175014002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide (CID 123332492) is N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide is C=CC(=O)NCCS(=O)(=O)C(C)(C)CC.
What is the InChIKey of N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide?
The InChIKey is VRUZFWABBZFKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-5-9(12)11-7-8-15(13,14)10(3,4)6-2/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide?
N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide has a molecular weight of 233.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylsulfonyl)ethyl]prop-2-enamide is sourced from PubChem (CID 123332492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).