3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline

C14H20N4OS — CID 126820493

IUPAC3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1n[nH]c(C)c1CNc1cccc(N=S(C)(C)=O)c1
InChIInChI=1S/C14H20N4OS/c1-10-14(11(2)17-16-10)9-15-12-6-5-7-13(8-12)18-20(3,4)19/h5-8,15H,9H2,1-4H3,(H,16,17)
InChIKeyIFJHLLULOWFIJV-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.00
Rot. Bonds4

About 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline

3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 126820493) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID126820493
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1n[nH]c(C)c1CNc1cccc(N=S(C)(C)=O)c1
InChIInChI=1S/C14H20N4OS/c1-10-14(11(2)17-16-10)9-15-12-6-5-7-13(8-12)18-20(3,4)19/h5-8,15H,9H2,1-4H3,(H,16,17)
InChIKeyIFJHLLULOWFIJV-UHFFFAOYSA-N
XLogP3.00
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline with MolForge

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
CID 54865539
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(2-methylfuran-3-yl)methyl]aniline
CID 126820490
4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 43683897
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 43709019
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethylsulfonylaniline
CID 43738227
methyl 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoate
CID 43645040
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43644780
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
CID 43724210
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoro-5-methylaniline
CID 79054856

Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline (CID 126820493) is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline is Cc1n[nH]c(C)c1CNc1cccc(N=S(C)(C)=O)c1.
What is the InChIKey of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is IFJHLLULOWFIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-14(11(2)17-16-10)9-15-12-6-5-7-13(8-12)18-20(3,4)19/h5-8,15H,9H2,1-4H3,(H,16,17).
What are the key properties of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline?
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 292.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 126820493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).