N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide

C17H24N4O3S — CID 26436660

IUPACN,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2nccc(OC)n2)cc1
InChIInChI=1S/C17H24N4O3S/c1-5-21(6-2)25(22,23)15-9-7-14(8-10-15)13(3)19-17-18-12-11-16(20-17)24-4/h7-13H,5-6H2,1-4H3,(H,18,19,20)/t13-/m0/s1
InChIKeyWSUMYTHUCJBDLD-ZDUSSCGKSA-N
MW364.47 g/mol
LogP2.69
Rot. Bonds8

About N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide

N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 26436660) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID26436660
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2nccc(OC)n2)cc1
InChIInChI=1S/C17H24N4O3S/c1-5-21(6-2)25(22,23)15-9-7-14(8-10-15)13(3)19-17-18-12-11-16(20-17)24-4/h7-13H,5-6H2,1-4H3,(H,18,19,20)/t13-/m0/s1
InChIKeyWSUMYTHUCJBDLD-ZDUSSCGKSA-N
XLogP2.69
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide
CID 133286517
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 42934023
N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112638879
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
CID 112637352
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
2-ethyl-7-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 122143448
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 56684317
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide (CID 26436660) is N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2nccc(OC)n2)cc1.
What is the InChIKey of N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is WSUMYTHUCJBDLD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-5-21(6-2)25(22,23)15-9-7-14(8-10-15)13(3)19-17-18-12-11-16(20-17)24-4/h7-13H,5-6H2,1-4H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide?
N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 26436660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).