(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

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Related Compounds

(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 162452443
(S)-N-[(1R)-1-[4-[(E)-2-cyclopropylethenyl]thiophen-3-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 178014072
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 8759799
methyl 2-methoxy-6-(2-thiophen-2-ylethenyl)benzoate
CID 75210644
2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene
CID 15723624
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 127262603
(R)-N-[(1S)-1-(2,3-dihydro-1H-indol-4-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 172908301
N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 154591603
2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
CID 146665041

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).