N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H21N3O2S — CID 138046849

IUPACN-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nccnc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O2S/c1-12-17(19-10-9-18-12)13(2)20-23(21,22)16-8-7-14-5-3-4-6-15(14)11-16/h7-11,13,20H,3-6H2,1-2H3/t13-/m1/s1
InChIKeyBRWCVUXBJCUHMU-CYBMUJFWSA-N
MW331.44 g/mol
LogP2.70
Rot. Bonds4

About N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 138046849) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID138046849
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nccnc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H21N3O2S/c1-12-17(19-10-9-18-12)13(2)20-23(21,22)16-8-7-14-5-3-4-6-15(14)11-16/h7-11,13,20H,3-6H2,1-2H3/t13-/m1/s1
InChIKeyBRWCVUXBJCUHMU-CYBMUJFWSA-N
XLogP2.70
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
N-(1-chloro-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79267831
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 138046849) is N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1nccnc1[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is BRWCVUXBJCUHMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-17(19-10-9-18-12)13(2)20-23(21,22)16-8-7-14-5-3-4-6-15(14)11-16/h7-11,13,20H,3-6H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 138046849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).