N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine

C10H23NOS — CID 64652936

IUPACN-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
SMILESCCC(C)S(=O)CCNC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-6-9(2)13(12)8-7-11-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyVQDHWEGINBAHQK-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.92
Rot. Bonds5

About N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine

N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine (PubChem CID 64652936) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
PubChem CID64652936
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC NameN-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
SMILESCCC(C)S(=O)CCNC(C)(C)C
InChIInChI=1S/C10H23NOS/c1-6-9(2)13(12)8-7-11-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyVQDHWEGINBAHQK-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine (CID 64652936) is N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine is CCC(C)S(=O)CCNC(C)(C)C.
What is the InChIKey of N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine?
The InChIKey is VQDHWEGINBAHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-6-9(2)13(12)8-7-11-10(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine?
N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 64652936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).