N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H24N2O2S2 — CID 18589439

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
InChIInChI=1S/C18H24N2O2S2/c1-20(2)17(18-8-5-11-23-18)13-19-24(21,22)16-10-9-14-6-3-4-7-15(14)12-16/h5,8-12,17,19H,3-4,6-7,13H2,1-2H3
InChIKeyYOHUTLCQEYPFDW-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 18589439) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID18589439
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1
InChIInChI=1S/C18H24N2O2S2/c1-20(2)17(18-8-5-11-23-18)13-19-24(21,22)16-10-9-14-6-3-4-7-15(14)12-16/h5,8-12,17,19H,3-4,6-7,13H2,1-2H3
InChIKeyYOHUTLCQEYPFDW-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 18589439) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(C)C(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is YOHUTLCQEYPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-20(2)17(18-8-5-11-23-18)13-19-24(21,22)16-10-9-14-6-3-4-7-15(14)12-16/h5,8-12,17,19H,3-4,6-7,13H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 364.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 18589439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).