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

C11H22N2O3S — CID 113148121

IUPACN-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)N(C)CCCC)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-5-7-9-12(3)11(14)10-13(8-6-2)17(4,15)16/h6H,2,5,7-10H2,1,3-4H3
InChIKeyHYNQBVWWKKPHRN-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.69
Rot. Bonds8

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

N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (PubChem CID 113148121) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
PubChem CID113148121
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC NameN-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)N(C)CCCC)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-5-7-9-12(3)11(14)10-13(8-6-2)17(4,15)16/h6H,2,5,7-10H2,1,3-4H3
InChIKeyHYNQBVWWKKPHRN-UHFFFAOYSA-N
XLogP0.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150779
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
N-butyl-N-methyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113139013
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-[5-[di(nonyl)amino]pentyl]-N-methylacetamide
CID 177193825
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
N,N-bis(pent-4-enyl)methanesulfonamide
CID 155624324

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (CID 113148121) is N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is C=CCN(CC(=O)N(C)CCCC)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The InChIKey is HYNQBVWWKKPHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-5-7-9-12(3)11(14)10-13(8-6-2)17(4,15)16/h6H,2,5,7-10H2,1,3-4H3.
What are the key properties of N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide has a molecular weight of 262.38 g/mol, XLogP of 0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 113148121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).