N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide

C11H16N2OS2 — CID 134307299

IUPACN-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CC#N)c1ccsc1
InChIInChI=1S/C11H16N2OS2/c1-11(2,3)16(14)13-10(4-6-12)9-5-7-15-8-9/h5,7-8,10,13H,4H2,1-3H3
InChIKeyLDIHFKLYDWEQCE-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.75
Rot. Bonds4

About N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide

N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide (PubChem CID 134307299) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide
PubChem CID134307299
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC NameN-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CC#N)c1ccsc1
InChIInChI=1S/C11H16N2OS2/c1-11(2,3)16(14)13-10(4-6-12)9-5-7-15-8-9/h5,7-8,10,13H,4H2,1-3H3
InChIKeyLDIHFKLYDWEQCE-UHFFFAOYSA-N
XLogP2.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide (CID 134307299) is N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CC#N)c1ccsc1.
What is the InChIKey of N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide?
The InChIKey is LDIHFKLYDWEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-11(2,3)16(14)13-10(4-6-12)9-5-7-15-8-9/h5,7-8,10,13H,4H2,1-3H3.
What are the key properties of N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide?
N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide has a molecular weight of 256.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134307299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).