1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine

C14H22N2S — CID 62841966

IUPAC1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
SMILESCN1CCCC(NC2CCCc3sccc32)C1
InChIInChI=1S/C14H22N2S/c1-16-8-3-4-11(10-16)15-13-5-2-6-14-12(13)7-9-17-14/h7,9,11,13,15H,2-6,8,10H2,1H3
InChIKeyNFQXYOVTEHJCME-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.81
Rot. Bonds2

About 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine

1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine (PubChem CID 62841966) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
PubChem CID62841966
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
SMILESCN1CCCC(NC2CCCc3sccc32)C1
InChIInChI=1S/C14H22N2S/c1-16-8-3-4-11(10-16)15-13-5-2-6-14-12(13)7-9-17-14/h7,9,11,13,15H,2-6,8,10H2,1H3
InChIKeyNFQXYOVTEHJCME-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 71916232
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrrolidin-3-amine
CID 82690392
1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 115727494
cyclopentyl-[(3R)-3-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]pyrrolidin-1-yl]methanone
CID 97233416
N-(3,3,5,5-tetramethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115998919
1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine
CID 81327342
N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476354
N-(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrrolidin-3-amine
CID 82690321
2,2-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dioxan-5-amine
CID 113429660
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 62841752
N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 79082942
1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 61210483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
The IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine (CID 62841966) is 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
The canonical SMILES for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine is CN1CCCC(NC2CCCc3sccc32)C1.
What is the InChIKey of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
The InChIKey is NFQXYOVTEHJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16-8-3-4-11(10-16)15-13-5-2-6-14-12(13)7-9-17-14/h7,9,11,13,15H,2-6,8,10H2,1H3.
What are the key properties of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine?
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine is sourced from PubChem (CID 62841966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).