4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide

C10H22N2O2S — CID 81189824

IUPAC4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CC(C)(C)N
InChIInChI=1S/C10H22N2O2S/c1-10(2,11)8-15(14)7-5-6-9(13)12(3)4/h5-8,11H2,1-4H3
InChIKeyKDRZFAIIPLACJF-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.34
Rot. Bonds6

About 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide

4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide (PubChem CID 81189824) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide
PubChem CID81189824
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CC(C)(C)N
InChIInChI=1S/C10H22N2O2S/c1-10(2,11)8-15(14)7-5-6-9(13)12(3)4/h5-8,11H2,1-4H3
InChIKeyKDRZFAIIPLACJF-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide?
The IUPAC name of 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide (CID 81189824) is 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide?
The canonical SMILES for 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)CC(C)(C)N.
What is the InChIKey of 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide?
The InChIKey is KDRZFAIIPLACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,11)8-15(14)7-5-6-9(13)12(3)4/h5-8,11H2,1-4H3.
What are the key properties of 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide?
4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide has a molecular weight of 234.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)sulfinyl-N,N-dimethylbutanamide is sourced from PubChem (CID 81189824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).