N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C12H16N2OS — CID 79217051

IUPACN-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(N)CNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C12H16N2OS/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-5,8,11H,6-7,13H2,1H3,(H,14,15)
InChIKeyKBLXVKBPZQWMTI-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.17
Rot. Bonds3

About N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 79217051) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID79217051
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(N)CNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C12H16N2OS/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-5,8,11H,6-7,13H2,1H3,(H,14,15)
InChIKeyKBLXVKBPZQWMTI-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-methylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114313238
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 113274486
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)propanoate
CID 60712541
N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309548
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylbutanoic acid
CID 43354086
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxypropanoate
CID 43409716

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 79217051) is N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CC(N)CNC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is KBLXVKBPZQWMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-5,8,11H,6-7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79217051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).