N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide

C12H26N2O3S — CID 113068002

IUPACN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-11(2,3)10(15)13-8-9-14(12(4,5)6)18(7,16)17/h8-9H2,1-7H3,(H,13,15)
InChIKeyFVSBEPWYISIJBX-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.21
Rot. Bonds4

About N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 113068002) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID113068002
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-11(2,3)10(15)13-8-9-14(12(4,5)6)18(7,16)17/h8-9H2,1-7H3,(H,13,15)
InChIKeyFVSBEPWYISIJBX-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
CID 113068029
2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
CID 113065214
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide
CID 113068070
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide (CID 113068002) is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is FVSBEPWYISIJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2,3)10(15)13-8-9-14(12(4,5)6)18(7,16)17/h8-9H2,1-7H3,(H,13,15).
What are the key properties of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113068002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).