2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide

C12H16N2OS — CID 79214050

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
SMILESCC(NCC1Cc2ccccc2S1)C(N)=O
InChIInChI=1S/C12H16N2OS/c1-8(12(13)15)14-7-10-6-9-4-2-3-5-11(9)16-10/h2-5,8,10,14H,6-7H2,1H3,(H2,13,15)
InChIKeyXCAPQUFQYDTLMM-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.17
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide

2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide (PubChem CID 79214050) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
PubChem CID79214050
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
SMILESCC(NCC1Cc2ccccc2S1)C(N)=O
InChIInChI=1S/C12H16N2OS/c1-8(12(13)15)14-7-10-6-9-4-2-3-5-11(9)16-10/h2-5,8,10,14H,6-7H2,1H3,(H2,13,15)
InChIKeyXCAPQUFQYDTLMM-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 79222243
1-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propan-2-amine
CID 79224418
2-(2,3-dihydro-1-benzothiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 79212476
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
CID 79214054
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859499
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444
1-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbutan-2-amine
CID 107859245
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-methoxypropan-2-amine
CID 79213714
(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
CID 81353201
4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)butanamide
CID 79214063

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide (CID 79214050) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide is CC(NCC1Cc2ccccc2S1)C(N)=O.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide?
The InChIKey is XCAPQUFQYDTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8(12(13)15)14-7-10-6-9-4-2-3-5-11(9)16-10/h2-5,8,10,14H,6-7H2,1H3,(H2,13,15).
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide?
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide has a molecular weight of 236.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 79214050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).