(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide

C10H22N2O3S — CID 103929425

IUPAC(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-10(2,3)8(11)9(13)12-6-5-7-16(4,14)15/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyGOFNIBQZVUYNMS-QMMMGPOBSA-N
MW250.36 g/mol
LogP-0.09
Rot. Bonds5

About (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide (PubChem CID 103929425) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
PubChem CID103929425
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-10(2,3)8(11)9(13)12-6-5-7-16(4,14)15/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyGOFNIBQZVUYNMS-QMMMGPOBSA-N
XLogP-0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
5-amino-6,6-dimethyl-1-methylsulfonylheptan-4-one
CID 116611382
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide (CID 103929425) is (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide is CC(C)(C)[C@@H](N)C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide?
The InChIKey is GOFNIBQZVUYNMS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2,3)8(11)9(13)12-6-5-7-16(4,14)15/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide has a molecular weight of 250.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide is sourced from PubChem (CID 103929425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).