N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

C12H27N3O3S — CID 113150085

IUPACN-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(CCCN(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-6-11(2)13-12(16)10-15(19(5,17)18)9-7-8-14(3)4/h11H,6-10H2,1-5H3,(H,13,16)
InChIKeyZHAPJLNOKLNYND-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.11
Rot. Bonds9

About N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (PubChem CID 113150085) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
PubChem CID113150085
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(CCCN(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-6-11(2)13-12(16)10-15(19(5,17)18)9-7-8-14(3)4/h11H,6-10H2,1-5H3,(H,13,16)
InChIKeyZHAPJLNOKLNYND-UHFFFAOYSA-N
XLogP0.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152008
N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152263
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149833
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140692
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113150088
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
CID 113158615

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (CID 113150085) is N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is CCC(C)NC(=O)CN(CCCN(C)C)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The InChIKey is ZHAPJLNOKLNYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-6-11(2)13-12(16)10-15(19(5,17)18)9-7-8-14(3)4/h11H,6-10H2,1-5H3,(H,13,16).
What are the key properties of N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide has a molecular weight of 293.43 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).