(S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide

C18H23NOS2 — CID 178014045

IUPAC(S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1/C=C/c1cccs1
InChIInChI=1S/C18H23NOS2/c1-14(19-22(20)18(2,3)4)17-10-6-5-8-15(17)11-12-16-9-7-13-21-16/h5-14,19H,1-4H3/b12-11+/t14-,22-/m0/s1
InChIKeyWTAKMCQVOGRSMY-NRYQGRDJSA-N
MW333.52 g/mol
LogP5.03
Rot. Bonds5

About (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide (PubChem CID 178014045) has the molecular formula C18H23NOS2 and a molecular weight of 333.52 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide
PubChem CID178014045
Molecular FormulaC18H23NOS2
Molecular Weight333.52 g/mol
Exact Mass333.12
IUPAC Name(S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1/C=C/c1cccs1
InChIInChI=1S/C18H23NOS2/c1-14(19-22(20)18(2,3)4)17-10-6-5-8-15(17)11-12-16-9-7-13-21-16/h5-14,19H,1-4H3/b12-11+/t14-,22-/m0/s1
InChIKeyWTAKMCQVOGRSMY-NRYQGRDJSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-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

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide (CID 178014045) is (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide is C[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1/C=C/c1cccs1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide?
The InChIKey is WTAKMCQVOGRSMY-NRYQGRDJSA-N. The full InChI is InChI=1S/C18H23NOS2/c1-14(19-22(20)18(2,3)4)17-10-6-5-8-15(17)11-12-16-9-7-13-21-16/h5-14,19H,1-4H3/b12-11+/t14-,22-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide has a molecular weight of 333.52 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 178014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).