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

C8H16N2OS — CID 90402306

IUPACN-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C#N)NS(=O)C(C)(C)C
InChIInChI=1S/C8H16N2OS/c1-7(2,3)12(11)10-8(4,5)6-9/h10H,1-5H3
InChIKeyYCUOXKQWIFTZBO-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.34
Rot. Bonds2

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

N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide (PubChem CID 90402306) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide
PubChem CID90402306
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C#N)NS(=O)C(C)(C)C
InChIInChI=1S/C8H16N2OS/c1-7(2,3)12(11)10-8(4,5)6-9/h10H,1-5H3
InChIKeyYCUOXKQWIFTZBO-UHFFFAOYSA-N
XLogP1.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide (CID 90402306) is N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide is CC(C)(C#N)NS(=O)C(C)(C)C.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is YCUOXKQWIFTZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7(2,3)12(11)10-8(4,5)6-9/h10H,1-5H3.
What are the key properties of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide?
N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 188.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90402306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).