N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide

C16H24N2OS — CID 90812349

IUPACN-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide
SMILESCCCCS(=O)NC(C)c1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C16H24N2OS/c1-5-6-11-20(19)18-13(2)14-7-9-15(10-8-14)16(3,4)12-17/h7-10,13,18H,5-6,11H2,1-4H3
InChIKeyHNCWUHMQSKOZJK-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.60
Rot. Bonds7

About N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide

N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide (PubChem CID 90812349) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide.

Molecular Properties

Compound NameN-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide
PubChem CID90812349
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide
SMILESCCCCS(=O)NC(C)c1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C16H24N2OS/c1-5-6-11-20(19)18-13(2)14-7-9-15(10-8-14)16(3,4)12-17/h7-10,13,18H,5-6,11H2,1-4H3
InChIKeyHNCWUHMQSKOZJK-UHFFFAOYSA-N
XLogP3.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide?
The IUPAC name of N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide (CID 90812349) is N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide.
What is the SMILES notation for N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide?
The canonical SMILES for N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide is CCCCS(=O)NC(C)c1ccc(C(C)(C)C#N)cc1.
What is the InChIKey of N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide?
The InChIKey is HNCWUHMQSKOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-5-6-11-20(19)18-13(2)14-7-9-15(10-8-14)16(3,4)12-17/h7-10,13,18H,5-6,11H2,1-4H3.
What are the key properties of N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide?
N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide has a molecular weight of 292.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide is sourced from PubChem (CID 90812349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).