3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide

C10H20N2O3S — CID 113136439

IUPAC3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
SMILESC=CCN(CCC(=O)NCCC)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-4-7-11-10(13)6-9-12(8-5-2)16(3,14)15/h5H,2,4,6-9H2,1,3H3,(H,11,13)
InChIKeyZSEILOAEXXMYEP-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.35
Rot. Bonds8

About 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide

3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide (PubChem CID 113136439) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
PubChem CID113136439
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
SMILESC=CCN(CCC(=O)NCCC)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-4-7-11-10(13)6-9-12(8-5-2)16(3,14)15/h5H,2,4,6-9H2,1,3H3,(H,11,13)
InChIKeyZSEILOAEXXMYEP-UHFFFAOYSA-N
XLogP0.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.35
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-[2-(4-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136484
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113115511
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
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
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
CID 113141414
3-[methyl(propan-2-yl)amino]-N-propylpropanamide
CID 170366588
N,N'-dipropyldecanediamide
CID 102239298

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide (CID 113136439) is 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide is C=CCN(CCC(=O)NCCC)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide?
The InChIKey is ZSEILOAEXXMYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-7-11-10(13)6-9-12(8-5-2)16(3,14)15/h5H,2,4,6-9H2,1,3H3,(H,11,13).
What are the key properties of 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide?
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide has a molecular weight of 248.35 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide is sourced from PubChem (CID 113136439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).