(S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide

C18H23NO2S — CID 134941102

IUPAC(S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@H](c1ccccc1)[C@H](N[S@@](=O)C(C)(C)C)c1ccco1
InChIInChI=1S/C18H23NO2S/c1-5-15(14-10-7-6-8-11-14)17(16-12-9-13-21-16)19-22(20)18(2,3)4/h5-13,15,17,19H,1H2,2-4H3/t15-,17-,22-/m0/s1
InChIKeyVLPCNRJPSMUSIB-YHEJKZAPSA-N
MW317.45 g/mol
LogP4.34
Rot. Bonds6

About (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 134941102) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID134941102
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name(S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@H](c1ccccc1)[C@H](N[S@@](=O)C(C)(C)C)c1ccco1
InChIInChI=1S/C18H23NO2S/c1-5-15(14-10-7-6-8-11-14)17(16-12-9-13-21-16)19-22(20)18(2,3)4/h5-13,15,17,19H,1H2,2-4H3/t15-,17-,22-/m0/s1
InChIKeyVLPCNRJPSMUSIB-YHEJKZAPSA-N
XLogP4.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
1-(furan-2-yl)-3-methyl-N-phenethylbut-3-en-1-amine hydrochloride
CID 2942979
Furfurylamine, alpha-benzyl-N-methyl-
CID 18548
N-(2-furylmethyl)-4'-methyl-4-biphenylsulfonamide
CID 890678
N-benzyl-1-(furan-2-yl)but-3-en-1-amine
CID 2818344
1-(furan-2-yl)-N-(1-phenylethyl)but-3-en-1-amine
CID 3541691
alpha-Benzyl-N-propylfurfurylamine
CID 18549
4-acetyl-N-[(furan-2-yl)methyl]benzene-1-sulfonamide
CID 2414071
3-(2-Furyl)-1-(4-methoxyphenyl)propylamine
CID 6603530
N-(furan-2-ylmethyl)-1-phenylmethanesulfonamide
CID 798773
1-(2-Furyl)-1-phenylmethanamine
CID 3144389
N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanesulfonamide
CID 17741542

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide (CID 134941102) is (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide is C=C[C@@H](c1ccccc1)[C@H](N[S@@](=O)C(C)(C)C)c1ccco1.
What is the InChIKey of (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VLPCNRJPSMUSIB-YHEJKZAPSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-5-15(14-10-7-6-8-11-14)17(16-12-9-13-21-16)19-22(20)18(2,3)4/h5-13,15,17,19H,1H2,2-4H3/t15-,17-,22-/m0/s1.
What are the key properties of (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 317.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S,2S)-1-(furan-2-yl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134941102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).