N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide

C16H24N4O2S — CID 97104029

IUPACN-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)cc1
InChIInChI=1S/C16H24N4O2S/c1-11(9-15-10-12(2)19-20-15)18-13(3)14-5-7-16(8-6-14)23(21,22)17-4/h5-8,10-11,13,17-18H,9H2,1-4H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyXRIUWWOAQHUWIY-AAEUAGOBSA-N
MW336.46 g/mol
LogP1.91
Rot. Bonds7

About N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide

N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 97104029) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID97104029
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)cc1
InChIInChI=1S/C16H24N4O2S/c1-11(9-15-10-12(2)19-20-15)18-13(3)14-5-7-16(8-6-14)23(21,22)17-4/h5-8,10-11,13,17-18H,9H2,1-4H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyXRIUWWOAQHUWIY-AAEUAGOBSA-N
XLogP1.91
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylsulfamoyl)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 56877158
4-[(1S)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99719075
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99696227
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-methylsulfonyl-4-nitroaniline
CID 100670221
4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97333724
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 77083005
(2R)-1-(5-methyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-2-amine
CID 97104052
N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide
CID 75471678
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
CID 170893704

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide (CID 97104029) is N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)cc1.
What is the InChIKey of N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is XRIUWWOAQHUWIY-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-11(9-15-10-12(2)19-20-15)18-13(3)14-5-7-16(8-6-14)23(21,22)17-4/h5-8,10-11,13,17-18H,9H2,1-4H3,(H,19,20)/t11-,13-/m0/s1.
What are the key properties of N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide?
N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1S)-1-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97104029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).