N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide

C9H18N2OS — CID 85230502

IUPACN-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCCC(C)(C#N)NS(=O)C(C)(C)C
InChIInChI=1S/C9H18N2OS/c1-6-9(5,7-10)11-13(12)8(2,3)4/h11H,6H2,1-5H3
InChIKeyIWRXQWPIRRGWOB-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.73
Rot. Bonds3

About N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide

N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide (PubChem CID 85230502) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide
PubChem CID85230502
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCCC(C)(C#N)NS(=O)C(C)(C)C
InChIInChI=1S/C9H18N2OS/c1-6-9(5,7-10)11-13(12)8(2,3)4/h11H,6H2,1-5H3
InChIKeyIWRXQWPIRRGWOB-UHFFFAOYSA-N
XLogP1.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide (CID 85230502) is N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide is CCC(C)(C#N)NS(=O)C(C)(C)C.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is IWRXQWPIRRGWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6-9(5,7-10)11-13(12)8(2,3)4/h11H,6H2,1-5H3.
What are the key properties of N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide?
N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 202.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 85230502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).