5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one

C14H19BrN2OS — CID 82690207

IUPAC5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCCc3sc(Br)cc32)CCC1=O
InChIInChI=1S/C14H19BrN2OS/c1-17-8-9(5-6-14(17)18)16-11-3-2-4-12-10(11)7-13(15)19-12/h7,9,11,16H,2-6,8H2,1H3
InChIKeyXPEIKJDUYAVXSQ-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.10
Rot. Bonds2

About 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one

5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 82690207) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID82690207
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCCc3sc(Br)cc32)CCC1=O
InChIInChI=1S/C14H19BrN2OS/c1-17-8-9(5-6-14(17)18)16-11-3-2-4-12-10(11)7-13(15)19-12/h7,9,11,16H,2-6,8H2,1H3
InChIKeyXPEIKJDUYAVXSQ-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one with MolForge

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Related Compounds

N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrrolidin-3-amine
CID 82690392
2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686248
1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
CID 64654083
2-bromo-N-(1,1-dioxothian-4-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686399
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]cyclobutan-1-ol
CID 82690357
2-bromo-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687386
2-bromo-N-(4-ethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689671
5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 64654307
5-(cyclobutylamino)-1-methylpiperidin-2-one
CID 64655743
5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one
CID 79742063
N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrrolidin-3-amine
CID 82690321
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrazol-4-amine
CID 82686391

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one (CID 82690207) is 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one is CN1CC(NC2CCCc3sc(Br)cc32)CCC1=O.
What is the InChIKey of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is XPEIKJDUYAVXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-17-8-9(5-6-14(17)18)16-11-3-2-4-12-10(11)7-13(15)19-12/h7,9,11,16H,2-6,8H2,1H3.
What are the key properties of 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one?
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 343.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 82690207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).