N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine

C15H24N2S — CID 62842394

IUPACN,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
SMILESCNC1CCN(C2CCCc3sccc32)C(C)C1
InChIInChI=1S/C15H24N2S/c1-11-10-12(16-2)6-8-17(11)14-4-3-5-15-13(14)7-9-18-15/h7,9,11-12,14,16H,3-6,8,10H2,1-2H3
InChIKeyZJEGNGNXDWQWRF-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.20
Rot. Bonds2

About N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine

N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine (PubChem CID 62842394) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
PubChem CID62842394
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
SMILESCNC1CCN(C2CCCc3sccc32)C(C)C1
InChIInChI=1S/C15H24N2S/c1-11-10-12(16-2)6-8-17(11)14-4-3-5-15-13(14)7-9-18-15/h7,9,11-12,14,16H,3-6,8,10H2,1-2H3
InChIKeyZJEGNGNXDWQWRF-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
CID 64937414
1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 115727494
N,4-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 115303898
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 62840592
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one
CID 55126948
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentan-1-one
CID 62051657
[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)azetidin-3-yl]oxidanium
CID 142063120
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 62843709
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62840248
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-4-carboxylic acid
CID 114278739
5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62840410
8-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62843533

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
The IUPAC name of N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine (CID 62842394) is N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine.
What is the SMILES notation for N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
The canonical SMILES for N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine is CNC1CCN(C2CCCc3sccc32)C(C)C1.
What is the InChIKey of N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
The InChIKey is ZJEGNGNXDWQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-10-12(16-2)6-8-17(11)14-4-3-5-15-13(14)7-9-18-15/h7,9,11-12,14,16H,3-6,8,10H2,1-2H3.
What are the key properties of N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine?
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine has a molecular weight of 264.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine is sourced from PubChem (CID 62842394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).