2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one

C14H21NOS — CID 55134907

IUPAC2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one
SMILESCC(c1cccs1)N(C)C1CCCCCC1=O
InChIInChI=1S/C14H21NOS/c1-11(14-9-6-10-17-14)15(2)12-7-4-3-5-8-13(12)16/h6,9-12H,3-5,7-8H2,1-2H3
InChIKeyJFAZSLBUJOQXOI-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.64
Rot. Bonds3

About 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one

2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one (PubChem CID 55134907) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one
PubChem CID55134907
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one
SMILESCC(c1cccs1)N(C)C1CCCCCC1=O
InChIInChI=1S/C14H21NOS/c1-11(14-9-6-10-17-14)15(2)12-7-4-3-5-8-13(12)16/h6,9-12H,3-5,7-8H2,1-2H3
InChIKeyJFAZSLBUJOQXOI-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
CID 79486027
2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one
CID 62980236
2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one
CID 55142595
2-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclopentan-1-amine
CID 82767577
2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
CID 43795669
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 129422475
4-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-one
CID 62614034
3-[methyl-(2-oxocycloheptyl)amino]butanenitrile
CID 63223261
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
CID 79469682
1-cyclohexyl-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 68703727
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one?
The IUPAC name of 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one (CID 55134907) is 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one is CC(c1cccs1)N(C)C1CCCCCC1=O.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one?
The InChIKey is JFAZSLBUJOQXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(14-9-6-10-17-14)15(2)12-7-4-3-5-8-13(12)16/h6,9-12H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one?
2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one has a molecular weight of 251.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one is sourced from PubChem (CID 55134907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).