N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide

C9H20N2O3S — CID 113056623

IUPACN-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-8(12)11(9(2,3)4)7-6-10-15(5,13)14/h10H,6-7H2,1-5H3
InChIKeyWSECURKGZLDCRT-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.18
Rot. Bonds4

About N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide

N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 113056623) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID113056623
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-8(12)11(9(2,3)4)7-6-10-15(5,13)14/h10H,6-7H2,1-5H3
InChIKeyWSECURKGZLDCRT-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056669
N-tert-butyl-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056671
N-tert-butyl-N-[2-[(2,5-dimethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113056649
N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113056622
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
N-(2-hydroxyethyl)methanesulfonamide
CID 11389425
N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 141436059
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113061694
N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 122677934
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
CID 113056620

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide (CID 113056623) is N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide is CC(=O)N(CCNS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is WSECURKGZLDCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(12)11(9(2,3)4)7-6-10-15(5,13)14/h10H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide?
N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 236.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 113056623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).