3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline

C14H18N2O2S — CID 126820490

IUPAC3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CNc1cccc(N=S(C)(C)=O)c1
InChIInChI=1S/C14H18N2O2S/c1-11-12(7-8-18-11)10-15-13-5-4-6-14(9-13)16-19(2,3)17/h4-9,15H,10H2,1-3H3
InChIKeyVKGNPQOYUJPXBI-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.56
Rot. Bonds4

About 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline

3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline (PubChem CID 126820490) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline
PubChem CID126820490
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CNc1cccc(N=S(C)(C)=O)c1
InChIInChI=1S/C14H18N2O2S/c1-11-12(7-8-18-11)10-15-13-5-4-6-14(9-13)16-19(2,3)17/h4-9,15H,10H2,1-3H3
InChIKeyVKGNPQOYUJPXBI-UHFFFAOYSA-N
XLogP3.56
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline?
The IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline (CID 126820490) is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline.
What is the SMILES notation for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline?
The canonical SMILES for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline is Cc1occc1CNc1cccc(N=S(C)(C)=O)c1.
What is the InChIKey of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline?
The InChIKey is VKGNPQOYUJPXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-12(7-8-18-11)10-15-13-5-4-6-14(9-13)16-19(2,3)17/h4-9,15H,10H2,1-3H3.
What are the key properties of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline?
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline has a molecular weight of 278.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline is sourced from PubChem (CID 126820490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).