2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide

C11H22N2O3S — CID 113065214

IUPAC2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
SMILESC=CCN(CCNC(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-6-8-13(17(5,15)16)9-7-12-10(14)11(2,3)4/h6H,1,7-9H2,2-5H3,(H,12,14)
InChIKeyBSRKPJZJJAYPAH-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.60
Rot. Bonds6

About 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide (PubChem CID 113065214) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
PubChem CID113065214
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
SMILESC=CCN(CCNC(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-6-8-13(17(5,15)16)9-7-12-10(14)11(2,3)4/h6H,1,7-9H2,2-5H3,(H,12,14)
InChIKeyBSRKPJZJJAYPAH-UHFFFAOYSA-N
XLogP0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.60
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-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115775603
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113065257
tert-butyl N-[(2S)-2-hydroxy-3-[methylsulfonyl(prop-2-enyl)amino]propyl]carbamate
CID 126693594
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide (CID 113065214) is 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide is C=CCN(CCNC(=O)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide?
The InChIKey is BSRKPJZJJAYPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-6-8-13(17(5,15)16)9-7-12-10(14)11(2,3)4/h6H,1,7-9H2,2-5H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide has a molecular weight of 262.38 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide is sourced from PubChem (CID 113065214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).