N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide

C8H16N2O3S — CID 58837153

IUPACN-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
SMILESC=CCN(CCNC(C)=O)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-4-6-10(14(3,12)13)7-5-9-8(2)11/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyIYKIPHNPOAKVGQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.43
Rot. Bonds6

About N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide

N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide (PubChem CID 58837153) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
PubChem CID58837153
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
SMILESC=CCN(CCNC(C)=O)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-4-6-10(14(3,12)13)7-5-9-8(2)11/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyIYKIPHNPOAKVGQ-UHFFFAOYSA-N
XLogP-0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.43
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

2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
CID 113065214
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]acetamide
CID 115633464
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113065257
N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide
CID 135036402
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
N-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136484
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483
N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 113237459

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide (CID 58837153) is N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide is C=CCN(CCNC(C)=O)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide?
The InChIKey is IYKIPHNPOAKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-4-6-10(14(3,12)13)7-5-9-8(2)11/h4H,1,5-7H2,2-3H3,(H,9,11).
What are the key properties of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide?
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide has a molecular weight of 220.29 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide is sourced from PubChem (CID 58837153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).