N-tert-butyl-2-(dimethylsulfamoylamino)propanamide

C9H21N3O3S — CID 47464795

IUPACN-tert-butyl-2-(dimethylsulfamoylamino)propanamide
SMILESCC(NS(=O)(=O)N(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H21N3O3S/c1-7(8(13)10-9(2,3)4)11-16(14,15)12(5)6/h7,11H,1-6H3,(H,10,13)
InChIKeyOIQGQMMVVPWRPU-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.31
Rot. Bonds4

About N-tert-butyl-2-(dimethylsulfamoylamino)propanamide

N-tert-butyl-2-(dimethylsulfamoylamino)propanamide (PubChem CID 47464795) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-tert-butyl-2-(dimethylsulfamoylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(dimethylsulfamoylamino)propanamide
PubChem CID47464795
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-tert-butyl-2-(dimethylsulfamoylamino)propanamide
SMILESCC(NS(=O)(=O)N(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H21N3O3S/c1-7(8(13)10-9(2,3)4)11-16(14,15)12(5)6/h7,11H,1-6H3,(H,10,13)
InChIKeyOIQGQMMVVPWRPU-UHFFFAOYSA-N
XLogP-0.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47400721
tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate
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CID 83013632
N-tert-butyl-2-(propan-2-ylamino)propanamide
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(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62641224
N-tert-butyl-2-[[2-(dimethylamino)-2-methylpropyl]amino]propanamide
CID 54940320
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 65265565
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115690344
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
CID 124727544
N-tert-butyl-2-fluoropropanamide
CID 167699160

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(dimethylsulfamoylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(dimethylsulfamoylamino)propanamide (CID 47464795) is N-tert-butyl-2-(dimethylsulfamoylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(dimethylsulfamoylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(dimethylsulfamoylamino)propanamide is CC(NS(=O)(=O)N(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(dimethylsulfamoylamino)propanamide?
The InChIKey is OIQGQMMVVPWRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-7(8(13)10-9(2,3)4)11-16(14,15)12(5)6/h7,11H,1-6H3,(H,10,13).
What are the key properties of N-tert-butyl-2-(dimethylsulfamoylamino)propanamide?
N-tert-butyl-2-(dimethylsulfamoylamino)propanamide has a molecular weight of 251.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(dimethylsulfamoylamino)propanamide is sourced from PubChem (CID 47464795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).