(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide

C10H23N3O3S — CID 114175289

IUPAC(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H23N3O3S/c1-10(2,3)8(11)9(14)12-6-7-17(15,16)13(4)5/h8H,6-7,11H2,1-5H3,(H,12,14)/t8-/m1/s1
InChIKeySZUGZBWGMITHMZ-MRVPVSSYSA-N
MW265.38 g/mol
LogP-0.63
Rot. Bonds5

About (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 114175289) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
PubChem CID114175289
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H23N3O3S/c1-10(2,3)8(11)9(14)12-6-7-17(15,16)13(4)5/h8H,6-7,11H2,1-5H3,(H,12,14)/t8-/m1/s1
InChIKeySZUGZBWGMITHMZ-MRVPVSSYSA-N
XLogP-0.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide (CID 114175289) is (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide is CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is SZUGZBWGMITHMZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(2,3)8(11)9(14)12-6-7-17(15,16)13(4)5/h8H,6-7,11H2,1-5H3,(H,12,14)/t8-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 265.38 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 114175289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).