N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

C12H27N3O3S — CID 113138136

IUPACN-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-12(2,3)13-11(16)7-8-15(19(6,17)18)10-9-14(4)5/h7-10H2,1-6H3,(H,13,16)
InChIKeyPPTPNIGSHZVCTQ-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.11
Rot. Bonds7

About N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide

N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (PubChem CID 113138136) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
PubChem CID113138136
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
SMILESCN(C)CCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-12(2,3)13-11(16)7-8-15(19(6,17)18)10-9-14(4)5/h7-10H2,1-6H3,(H,13,16)
InChIKeyPPTPNIGSHZVCTQ-UHFFFAOYSA-N
XLogP0.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-tert-butyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138369
N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149833
N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140479
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
CID 113140591
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
N-(4-bromophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138183
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
N-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113140664
N-[2-(dimethylamino)ethyl]-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137638
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide (CID 113138136) is N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is CN(C)CCN(CCC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
The InChIKey is PPTPNIGSHZVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-12(2,3)13-11(16)7-8-15(19(6,17)18)10-9-14(4)5/h7-10H2,1-6H3,(H,13,16).
What are the key properties of N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide?
N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide has a molecular weight of 293.43 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).