N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H19NO2S — CID 114751808

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H19NO2S/c17-8-7-15(5-6-15)10-16-14(18)13-9-11-3-1-2-4-12(11)19-13/h1-4,13,17H,5-10H2,(H,16,18)
InChIKeyJCDZTCIJJNXQJN-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.98
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 114751808) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID114751808
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H19NO2S/c17-8-7-15(5-6-15)10-16-14(18)13-9-11-3-1-2-4-12(11)19-13/h1-4,13,17H,5-10H2,(H,16,18)
InChIKeyJCDZTCIJJNXQJN-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114758545
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115701247
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115363885
N-[(1-aminocyclohexyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 119404407
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 114751808) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCC1(CCO)CC1)C1Cc2ccccc2S1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is JCDZTCIJJNXQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-8-7-15(5-6-15)10-16-14(18)13-9-11-3-1-2-4-12(11)19-13/h1-4,13,17H,5-10H2,(H,16,18).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114751808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).