N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H23NO2S — CID 106305884

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCSCCCO)C1CCc2ccccc2C1
InChIInChI=1S/C16H23NO2S/c18-9-3-10-20-11-8-17-16(19)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15,18H,3,6-12H2,(H,17,19)
InChIKeyQTWDNEBKMAPWEU-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.02
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 106305884) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID106305884
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCSCCCO)C1CCc2ccccc2C1
InChIInChI=1S/C16H23NO2S/c18-9-3-10-20-11-8-17-16(19)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15,18H,3,6-12H2,(H,17,19)
InChIKeyQTWDNEBKMAPWEU-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106311001
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
CID 103767331
N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106306525
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127121
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127313
N-(4,4-diethoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66937672
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 103767491
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127092

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 106305884) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCCSCCCO)C1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is QTWDNEBKMAPWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-9-3-10-20-11-8-17-16(19)15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15,18H,3,6-12H2,(H,17,19).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 293.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106305884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).