N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

C13H29N3O3S — CID 113138369

IUPACN-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H29N3O3S/c1-13(2,3)14-12(17)8-11-16(20(6,18)19)10-7-9-15(4)5/h7-11H2,1-6H3,(H,14,17)
InChIKeyYVAYXQQJGVGSGF-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.50
Rot. Bonds8

About N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide

N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (PubChem CID 113138369) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
PubChem CID113138369
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
SMILESCN(C)CCCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H29N3O3S/c1-13(2,3)14-12(17)8-11-16(20(6,18)19)10-7-9-15(4)5/h7-11H2,1-6H3,(H,14,17)
InChIKeyYVAYXQQJGVGSGF-UHFFFAOYSA-N
XLogP0.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.50
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-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149833
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140479
N-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113140664
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide (CID 113138369) is N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is CN(C)CCCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
The InChIKey is YVAYXQQJGVGSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-13(2,3)14-12(17)8-11-16(20(6,18)19)10-7-9-15(4)5/h7-11H2,1-6H3,(H,14,17).
What are the key properties of N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide?
N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide has a molecular weight of 307.46 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).