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

C14H20N2OS — CID 114167217

IUPAC3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNCC1CSc2ccccc21)C(N)=O
InChIInChI=1S/C14H20N2OS/c1-14(2,13(15)17)9-16-7-10-8-18-12-6-4-3-5-11(10)12/h3-6,10,16H,7-9H2,1-2H3,(H2,15,17)
InChIKeyMNIYPRGGNUMLNV-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.98
Rot. Bonds5

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

3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide (PubChem CID 114167217) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide
PubChem CID114167217
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNCC1CSc2ccccc21)C(N)=O
InChIInChI=1S/C14H20N2OS/c1-14(2,13(15)17)9-16-7-10-8-18-12-6-4-3-5-11(10)12/h3-6,10,16H,7-9H2,1-2H3,(H2,15,17)
InChIKeyMNIYPRGGNUMLNV-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)butanoate
CID 79220941
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
4-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)butanoic acid
CID 79221635
2,2-dimethyl-3-[[(5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propanamide
CID 99853780
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methoxypropan-1-amine
CID 79226059
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide (CID 114167217) is 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide is CC(C)(CNCC1CSc2ccccc21)C(N)=O.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide?
The InChIKey is MNIYPRGGNUMLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,13(15)17)9-16-7-10-8-18-12-6-4-3-5-11(10)12/h3-6,10,16H,7-9H2,1-2H3,(H2,15,17).
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide?
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide has a molecular weight of 264.39 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 3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 114167217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).