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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-Amino-pentyl)-thiophene-2-sulfonic acid amide
CID 10037665
4-(1-Amino-heptyl)-thiophene-2-sulfonic acid amide
CID 10107524
3-cyano-N-(2-thiophen-3-ylpropyl)propane-1-sulfonamide
CID 71985523
1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide
CID 71909495
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]propane-2-sulfinamide
CID 58570325
tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium
CID 173465503
N-[(1S)-2,2-dichloro-2-cyano-1-thiophen-3-ylethyl]methanesulfonamide
CID 132609156
(R)-2-methyl-N-[(1R)-1-thiophen-3-ylethyl]propane-2-sulfinamide
CID 162412188
3-Amino-3-(5-fluorothiophen-3-yl)propanenitrile
CID 130000187
(3R)-3-amino-3-(2-fluorothiophen-3-yl)propanenitrile
CID 131076412
2-(3-Thienyl)-2-(methylsulfonamido)propionitrile
CID 13799828
2-Amino-2-(thiophen-3-yl)acetonitrile
CID 14329400

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).