N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide

C13H20N4O2S — CID 110917546

IUPACN,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C13H20N4O2S/c1-17(2)20(18,19)12-6-4-11(5-7-12)10-16-13-14-8-3-9-15-13/h4-7H,3,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyNFHYYWRHVPSFKG-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.38
Rot. Bonds4

About N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide

N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide (PubChem CID 110917546) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide
PubChem CID110917546
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C13H20N4O2S/c1-17(2)20(18,19)12-6-4-11(5-7-12)10-16-13-14-8-3-9-15-13/h4-7H,3,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyNFHYYWRHVPSFKG-UHFFFAOYSA-N
XLogP0.38
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112763
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111109738
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927318
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111110782
methyl 2-methoxy-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzoate;hydroiodide
CID 110930085
N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916261
N-[2-(benzenesulfonyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112973

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide (CID 110917546) is N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CNC2=NCCCN2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is NFHYYWRHVPSFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-17(2)20(18,19)12-6-4-11(5-7-12)10-16-13-14-8-3-9-15-13/h4-7H,3,8-10H2,1-2H3,(H2,14,15,16).
What are the key properties of N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide?
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 110917546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).