3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine

C14H18N4O2S — CID 112983066

IUPAC3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C14H18N4O2S/c1-18(2)21(19,20)17-14-7-5-13(6-8-14)16-11-12-4-3-9-15-10-12/h3-10,16-17H,11H2,1-2H3
InChIKeyYWWIDWNOGUOCLB-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.91
Rot. Bonds6

About 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine

3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine (PubChem CID 112983066) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
PubChem CID112983066
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C14H18N4O2S/c1-18(2)21(19,20)17-14-7-5-13(6-8-14)16-11-12-4-3-9-15-10-12/h3-10,16-17H,11H2,1-2H3
InChIKeyYWWIDWNOGUOCLB-UHFFFAOYSA-N
XLogP1.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
CID 112982610
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112982956
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43454156
4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983096
N-[4-(pyridin-3-ylmethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112983088
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
The IUPAC name of 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine (CID 112983066) is 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine.
What is the SMILES notation for 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
The canonical SMILES for 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine is CN(C)S(=O)(=O)Nc1ccc(NCc2cccnc2)cc1.
What is the InChIKey of 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
The InChIKey is YWWIDWNOGUOCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(2)21(19,20)17-14-7-5-13(6-8-14)16-11-12-4-3-9-15-10-12/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine has a molecular weight of 306.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine is sourced from PubChem (CID 112983066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).