8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H23N3O2S — CID 139003272

IUPAC8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1cccc(CCNC2CCCc3ccc(S(N)(=O)=O)cc32)n1
InChIInChI=1S/C18H23N3O2S/c1-13-4-2-6-15(21-13)10-11-20-18-7-3-5-14-8-9-16(12-17(14)18)24(19,22)23/h2,4,6,8-9,12,18,20H,3,5,7,10-11H2,1H3,(H2,19,22,23)
InChIKeyDFGVJVFSQWMVQP-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.25
Rot. Bonds5

About 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 139003272) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound Name8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID139003272
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1cccc(CCNC2CCCc3ccc(S(N)(=O)=O)cc32)n1
InChIInChI=1S/C18H23N3O2S/c1-13-4-2-6-15(21-13)10-11-20-18-7-3-5-14-8-9-16(12-17(14)18)24(19,22)23/h2,4,6,8-9,12,18,20H,3,5,7,10-11H2,1H3,(H2,19,22,23)
InChIKeyDFGVJVFSQWMVQP-UHFFFAOYSA-N
XLogP2.25
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide
CID 139003232
N-methyl-6-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79262644
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97158290
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63239039
7-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 167796096
cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59094269
cis-(1R,2S)-N-[8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59094245
5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 167936513
N'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine
CID 11523041
4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide
CID 71145729
(3S)-3-(4-fluorophenyl)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 59063712

Frequently Asked Questions

What is the IUPAC name of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 139003272) is 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1cccc(CCNC2CCCc3ccc(S(N)(=O)=O)cc32)n1.
What is the InChIKey of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is DFGVJVFSQWMVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-4-2-6-15(21-13)10-11-20-18-7-3-5-14-8-9-16(12-17(14)18)24(19,22)23/h2,4,6,8-9,12,18,20H,3,5,7,10-11H2,1H3,(H2,19,22,23).
What are the key properties of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 139003272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).