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N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide

C13H20N2OS2 — CID 163225991

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](NS(=O)C(C)(C)C)c1cc(C#N)cs1
InChIInChI=1S/C13H20N2OS2/c1-9(2)12(15-18(16)13(3,4)5)11-6-10(7-14)8-17-11/h6,8-9,12,15H,1-5H3/t12-,18?/m1/s1
InChIKeyDOHUQMPRAPQXHL-GKOGFXNCSA-N
MW284.45 g/mol
LogP3.37
Rot. Bonds4

About N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 163225991) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID163225991
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[C@@H](NS(=O)C(C)(C)C)c1cc(C#N)cs1
InChIInChI=1S/C13H20N2OS2/c1-9(2)12(15-18(16)13(3,4)5)11-6-10(7-14)8-17-11/h6,8-9,12,15H,1-5H3/t12-,18?/m1/s1
InChIKeyDOHUQMPRAPQXHL-GKOGFXNCSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide (CID 163225991) is N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide is CC(C)[C@@H](NS(=O)C(C)(C)C)c1cc(C#N)cs1.
What is the InChIKey of N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is DOHUQMPRAPQXHL-GKOGFXNCSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-9(2)12(15-18(16)13(3,4)5)11-6-10(7-14)8-17-11/h6,8-9,12,15H,1-5H3/t12-,18?/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 284.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyanothiophen-2-yl)-2-methylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163225991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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