(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide

C11H22N2O2S — CID 104864652

IUPAC(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)9(12)10(14)13-8-4-6-16(15)7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-,16?/m0/s1
InChIKeyIWMJMJBNPRJIKG-OYNLBEDRSA-N
MW246.38 g/mol
LogP0.39
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide (PubChem CID 104864652) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
PubChem CID104864652
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCS(=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)9(12)10(14)13-8-4-6-16(15)7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-,16?/m0/s1
InChIKeyIWMJMJBNPRJIKG-OYNLBEDRSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2R)-2-amino-3-methyl-N-(1-oxothiolan-3-yl)butanamide
CID 131065515
(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
CID 112753369
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104864648
(2R)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104904016
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide (CID 104864652) is (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide is CC(C)(C)[C@@H](N)C(=O)NC1CCS(=O)CC1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide?
The InChIKey is IWMJMJBNPRJIKG-OYNLBEDRSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,3)9(12)10(14)13-8-4-6-16(15)7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-,16?/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide has a molecular weight of 246.38 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide is sourced from PubChem (CID 104864652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).