N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide

C11H25N3O3S — CID 113149833

IUPACN-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
SMILESCN(C)CCN(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-11(2,3)12-10(15)9-14(18(6,16)17)8-7-13(4)5/h7-9H2,1-6H3,(H,12,15)
InChIKeyAIQKRVCFUUTCMM-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.28
Rot. Bonds6

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

N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide (PubChem CID 113149833) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
PubChem CID113149833
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
SMILESCN(C)CCN(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-11(2,3)12-10(15)9-14(18(6,16)17)8-7-13(4)5/h7-9H2,1-6H3,(H,12,15)
InChIKeyAIQKRVCFUUTCMM-UHFFFAOYSA-N
XLogP-0.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138136
N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138369
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-tert-butylacetamide
CID 113160459
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152145
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-tert-butyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150306
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide
CID 83084947
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide (CID 113149833) is N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide is CN(C)CCN(CC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
The InChIKey is AIQKRVCFUUTCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(2,3)12-10(15)9-14(18(6,16)17)8-7-13(4)5/h7-9H2,1-6H3,(H,12,15).
What are the key properties of N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide?
N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide has a molecular weight of 279.41 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113149833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).