(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide

C9H20N2O3S — CID 103307829

IUPAC(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide
SMILESCC(C)S(=O)(=O)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-6(2)15(13,14)11-8(12)7(10)9(3,4)5/h6-7H,10H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyKUEVWKMHGSKZQV-ZETCQYMHSA-N
MW236.34 g/mol
LogP0.21
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide

(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide (PubChem CID 103307829) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide
PubChem CID103307829
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide
SMILESCC(C)S(=O)(=O)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-6(2)15(13,14)11-8(12)7(10)9(3,4)5/h6-7H,10H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyKUEVWKMHGSKZQV-ZETCQYMHSA-N
XLogP0.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 103930040
(2S)-2-amino-N-hydroxy-3,3-dimethylbutanamide
CID 63992597
2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480
N-propan-2-ylsulfonylacetamide
CID 18730103
(2S)-2-amino-N',3,3-trimethylbutanehydrazide
CID 89289815
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide (CID 103307829) is (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide is CC(C)S(=O)(=O)NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide?
The InChIKey is KUEVWKMHGSKZQV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-6(2)15(13,14)11-8(12)7(10)9(3,4)5/h6-7H,10H2,1-5H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide?
(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide has a molecular weight of 236.34 g/mol, XLogP of 0.21, 3 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-propan-2-ylsulfonylbutanamide is sourced from PubChem (CID 103307829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).