(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide

C8H18N2O3S — CID 139520541

IUPAC(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide
SMILESC[C@@H](CS(N)(=O)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O3S/c1-6(5-14(9,12)13)7(11)10-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)(H2,9,12,13)/t6-/m0/s1
InChIKeyLBFJCBBSGFGBJW-LURJTMIESA-N
MW222.31 g/mol
LogP-0.17
Rot. Bonds3

About (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide

(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide (PubChem CID 139520541) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide
PubChem CID139520541
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide
SMILESC[C@@H](CS(N)(=O)=O)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O3S/c1-6(5-14(9,12)13)7(11)10-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)(H2,9,12,13)/t6-/m0/s1
InChIKeyLBFJCBBSGFGBJW-LURJTMIESA-N
XLogP-0.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
CID 81194284
N-tert-butyl-2-(ethylsulfonylamino)propanamide
CID 47400721
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
(2R)-2-acetamido-3-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 107775070
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
N-tert-butyl-2-fluoropropanamide
CID 167699160
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
1-sulfamoylpropan-2-ylcarbamic acid
CID 170165167
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
CID 142641960
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62641224

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide?
The IUPAC name of (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide (CID 139520541) is (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide is C[C@@H](CS(N)(=O)=O)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide?
The InChIKey is LBFJCBBSGFGBJW-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-6(5-14(9,12)13)7(11)10-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)(H2,9,12,13)/t6-/m0/s1.
What are the key properties of (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide?
(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide has a molecular weight of 222.31 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide is sourced from PubChem (CID 139520541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).