(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide

C14H16N2OS — CID 164874982

IUPAC(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C1CCc2cc(C#N)ccc21
InChIInChI=1S/C14H16N2OS/c1-14(2,3)18(17)16-13-7-5-11-8-10(9-15)4-6-12(11)13/h4,6,8H,5,7H2,1-3H3/t18-/m0/s1
InChIKeySWQUFYLQUFDCKA-SFHVURJKSA-N
MW260.36 g/mol
LogP2.76
Rot. Bonds1

About (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide

(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 164874982) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID164874982
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C1CCc2cc(C#N)ccc21
InChIInChI=1S/C14H16N2OS/c1-14(2,3)18(17)16-13-7-5-11-8-10(9-15)4-6-12(11)13/h4,6,8H,5,7H2,1-3H3/t18-/m0/s1
InChIKeySWQUFYLQUFDCKA-SFHVURJKSA-N
XLogP2.76
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide (CID 164874982) is (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=C1CCc2cc(C#N)ccc21.
What is the InChIKey of (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is SWQUFYLQUFDCKA-SFHVURJKSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-14(2,3)18(17)16-13-7-5-11-8-10(9-15)4-6-12(11)13/h4,6,8H,5,7H2,1-3H3/t18-/m0/s1.
What are the key properties of (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 260.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164874982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).