N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H30N2O3S — CID 110604182

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCN(CC)CCOCCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H30N2O3S/c1-3-20(4-2)12-14-23-13-11-19-24(21,22)18-10-9-16-7-5-6-8-17(16)15-18/h9-10,15,19H,3-8,11-14H2,1-2H3
InChIKeyXJDZUTDVADYTPN-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.20
Rot. Bonds10

About N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 110604182) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID110604182
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCN(CC)CCOCCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H30N2O3S/c1-3-20(4-2)12-14-23-13-11-19-24(21,22)18-10-9-16-7-5-6-8-17(16)15-18/h9-10,15,19H,3-8,11-14H2,1-2H3
InChIKeyXJDZUTDVADYTPN-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114295990
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
CID 110425143
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 52598273
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 63767527
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-[[4-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26541394
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26543166

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 110604182) is N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCN(CC)CCOCCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is XJDZUTDVADYTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-3-20(4-2)12-14-23-13-11-19-24(21,22)18-10-9-16-7-5-6-8-17(16)15-18/h9-10,15,19H,3-8,11-14H2,1-2H3.
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 110604182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).