N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H31N3O2S — CID 40828862

IUPACN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)N(C)C)ccc21
InChIInChI=1S/C23H31N3O2S/c1-25(2)23(19-9-11-22-20(14-19)12-13-26(22)3)16-24-29(27,28)21-10-8-17-6-4-5-7-18(17)15-21/h8-11,14-15,23-24H,4-7,12-13,16H2,1-3H3/t23-/m1/s1
InChIKeyIJRZCIZZVUXRJO-HSZRJFAPSA-N
MW413.59 g/mol
LogP3.14
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 40828862) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID40828862
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)N(C)C)ccc21
InChIInChI=1S/C23H31N3O2S/c1-25(2)23(19-9-11-22-20(14-19)12-13-26(22)3)16-24-29(27,28)21-10-8-17-6-4-5-7-18(17)15-21/h8-11,14-15,23-24H,4-7,12-13,16H2,1-3H3/t23-/m1/s1
InChIKeyIJRZCIZZVUXRJO-HSZRJFAPSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

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4-Butyl-N-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)benzene-1-sulfonamide
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2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-[(4-methylpiperidin-4-yl)methyl]cyclopropan-1-amine
CID 132240654
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 132240671
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(2-piperidin-4-ylethyl)cyclopropan-1-amine
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trans-4-((2-(1-(Phenylsulfonyl) indolin-5-yl)cyclopropylamino)methyl) cyclohexylamine
CID 132240674
2-[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
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2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-benzylcyclopropan-1-amine
CID 132240683
4-[[[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]amino]methyl]-N,N-dimethylaniline
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2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-[(1-benzylpiperidin-4-yl)methyl]cyclopropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 40828862) is N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)N(C)C)ccc21.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is IJRZCIZZVUXRJO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-25(2)23(19-9-11-22-20(14-19)12-13-26(22)3)16-24-29(27,28)21-10-8-17-6-4-5-7-18(17)15-21/h8-11,14-15,23-24H,4-7,12-13,16H2,1-3H3/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 413.59 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 40828862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).