N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide

C18H25N3O2S — CID 75471678

IUPACN-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)NCc2cccc(C(C)C)n2)cc1
InChIInChI=1S/C18H25N3O2S/c1-13(2)18-7-5-6-16(21-18)12-20-14(3)15-8-10-17(11-9-15)24(22,23)19-4/h5-11,13-14,19-20H,12H2,1-4H3
InChIKeyVPOWVMXNKBTHSO-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.96
Rot. Bonds7

About N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide

N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 75471678) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide
PubChem CID75471678
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)NCc2cccc(C(C)C)n2)cc1
InChIInChI=1S/C18H25N3O2S/c1-13(2)18-7-5-6-16(21-18)12-20-14(3)15-8-10-17(11-9-15)24(22,23)19-4/h5-11,13-14,19-20H,12H2,1-4H3
InChIKeyVPOWVMXNKBTHSO-UHFFFAOYSA-N
XLogP2.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 97065389
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-[1-[[3-(3-cyanopropoxy)phenyl]methylamino]ethyl]-N-methylbenzenesulfonamide
CID 119109055
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 95178243
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide (CID 75471678) is N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)NCc2cccc(C(C)C)n2)cc1.
What is the InChIKey of N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is VPOWVMXNKBTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13(2)18-7-5-6-16(21-18)12-20-14(3)15-8-10-17(11-9-15)24(22,23)19-4/h5-11,13-14,19-20H,12H2,1-4H3.
What are the key properties of N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide?
N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[(6-propan-2-yl-2-pyridinyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 75471678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).