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

C7H14N2OS — CID 130992639

IUPACN-(2-cyanopropan-2-yl)propane-2-sulfinamide
SMILESCC(C)S(=O)NC(C)(C)C#N
InChIInChI=1S/C7H14N2OS/c1-6(2)11(10)9-7(3,4)5-8/h6,9H,1-4H3
InChIKeyIWLLINKMNBALPB-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.95
Rot. Bonds3

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

N-(2-cyanopropan-2-yl)propane-2-sulfinamide (PubChem CID 130992639) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)propane-2-sulfinamide
PubChem CID130992639
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-(2-cyanopropan-2-yl)propane-2-sulfinamide
SMILESCC(C)S(=O)NC(C)(C)C#N
InChIInChI=1S/C7H14N2OS/c1-6(2)11(10)9-7(3,4)5-8/h6,9H,1-4H3
InChIKeyIWLLINKMNBALPB-UHFFFAOYSA-N
XLogP0.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.95
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)propane-2-sulfinamide?
The IUPAC name of N-(2-cyanopropan-2-yl)propane-2-sulfinamide (CID 130992639) is N-(2-cyanopropan-2-yl)propane-2-sulfinamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)propane-2-sulfinamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)propane-2-sulfinamide is CC(C)S(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)propane-2-sulfinamide?
The InChIKey is IWLLINKMNBALPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6(2)11(10)9-7(3,4)5-8/h6,9H,1-4H3.
What are the key properties of N-(2-cyanopropan-2-yl)propane-2-sulfinamide?
N-(2-cyanopropan-2-yl)propane-2-sulfinamide has a molecular weight of 174.27 g/mol, XLogP of 0.95, 3 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)propane-2-sulfinamide is sourced from PubChem (CID 130992639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).