1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine

C15H14ClNO3S — CID 34306091

IUPAC1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine
SMILESO=S1(=O)CC[C@@H](/N=C/c2ccc(-c3cccc(Cl)c3)o2)C1
InChIInChI=1S/C15H14ClNO3S/c16-12-3-1-2-11(8-12)15-5-4-14(20-15)9-17-13-6-7-21(18,19)10-13/h1-5,8-9,13H,6-7,10H2/b17-9+/t13-/m1/s1
InChIKeyYEYKLPKISFDOQT-LFMVTYOGSA-N
MW323.80 g/mol
LogP3.21
Rot. Bonds3

About 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine

1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine (PubChem CID 34306091) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine
PubChem CID34306091
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine
SMILESO=S1(=O)CC[C@@H](/N=C/c2ccc(-c3cccc(Cl)c3)o2)C1
InChIInChI=1S/C15H14ClNO3S/c16-12-3-1-2-11(8-12)15-5-4-14(20-15)9-17-13-6-7-21(18,19)10-13/h1-5,8-9,13H,6-7,10H2/b17-9+/t13-/m1/s1
InChIKeyYEYKLPKISFDOQT-LFMVTYOGSA-N
XLogP3.21
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-1-(5-methylfuran-2-yl)methanimine
CID 27309079
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1372659
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]prop-2-enamide
CID 34258996
(3R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 42278713
4-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 135787709
(1R,2S,6R,7R)-4-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126414426
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060006
2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50887505
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 35043516
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 5225466
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 26074510

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine?
The IUPAC name of 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine (CID 34306091) is 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine?
The canonical SMILES for 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine is O=S1(=O)CC[C@@H](/N=C/c2ccc(-c3cccc(Cl)c3)o2)C1.
What is the InChIKey of 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine?
The InChIKey is YEYKLPKISFDOQT-LFMVTYOGSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-12-3-1-2-11(8-12)15-5-4-14(20-15)9-17-13-6-7-21(18,19)10-13/h1-5,8-9,13H,6-7,10H2/b17-9+/t13-/m1/s1.
What are the key properties of 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine?
1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine has a molecular weight of 323.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)furan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]methanimine is sourced from PubChem (CID 34306091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).