N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide

C12H22N2OS — CID 67008948

IUPACN-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C#N)C(NS(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2OS/c1-11(2,3)16(15)14-10(9-6-7-9)12(4,5)8-13/h9-10,14H,6-7H2,1-5H3
InChIKeyASUKXJXLRAKAAW-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.37
Rot. Bonds4

About N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide

N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide (PubChem CID 67008948) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide
PubChem CID67008948
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C#N)C(NS(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C12H22N2OS/c1-11(2,3)16(15)14-10(9-6-7-9)12(4,5)8-13/h9-10,14H,6-7H2,1-5H3
InChIKeyASUKXJXLRAKAAW-UHFFFAOYSA-N
XLogP2.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide (CID 67008948) is N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide is CC(C)(C#N)C(NS(=O)C(C)(C)C)C1CC1.
What is the InChIKey of N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide?
The InChIKey is ASUKXJXLRAKAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(2,3)16(15)14-10(9-6-7-9)12(4,5)8-13/h9-10,14H,6-7H2,1-5H3.
What are the key properties of N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide?
N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide has a molecular weight of 242.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-cyclopropyl-2-methylpropyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67008948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).