N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine

C10H23NOS — CID 20760261

IUPACN-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-9(2,3)11-7-8-13(12)10(4,5)6/h11H,7-8H2,1-6H3
InChIKeyQYBSAXRDGFTQBH-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.92
Rot. Bonds3

About N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine

N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine (PubChem CID 20760261) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine
PubChem CID20760261
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC NameN-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCS(=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-9(2,3)11-7-8-13(12)10(4,5)6/h11H,7-8H2,1-6H3
InChIKeyQYBSAXRDGFTQBH-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine (CID 20760261) is N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine is CC(C)(C)NCCS(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine?
The InChIKey is QYBSAXRDGFTQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2,3)11-7-8-13(12)10(4,5)6/h11H,7-8H2,1-6H3.
What are the key properties of N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine?
N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfinylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 20760261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).