(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

C13H21N3O3S — CID 61148344

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-13(2,3)11(14)12(17)16-8-9-4-6-10(7-5-9)20(15,18)19/h4-7,11H,8,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t11-/m1/s1
InChIKeyNUYHHVZMMQXFRC-LLVKDONJSA-N
MW299.40 g/mol
LogP0.32
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 61148344) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID61148344
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-13(2,3)11(14)12(17)16-8-9-4-6-10(7-5-9)20(15,18)19/h4-7,11H,8,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t11-/m1/s1
InChIKeyNUYHHVZMMQXFRC-LLVKDONJSA-N
XLogP0.32
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
methyl 4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 61274721
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
(2R)-2-amino-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 104906766
2-methyl-2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 62834122
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
4-amino-5-oxo-5-[(4-sulfamoylphenyl)methylamino]pentanoic acid
CID 64895393
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713155
(2S)-2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119707921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 61148344) is (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide is CC(C)(C)[C@H](N)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is NUYHHVZMMQXFRC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(2,3)11(14)12(17)16-8-9-4-6-10(7-5-9)20(15,18)19/h4-7,11H,8,14H2,1-3H3,(H,16,17)(H2,15,18,19)/t11-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 299.40 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 61148344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).