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

C15H23NOS — CID 79486027

IUPAC2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
SMILESCC(Cc1cccs1)N(C)C1CCCCCC1=O
InChIInChI=1S/C15H23NOS/c1-12(11-13-7-6-10-18-13)16(2)14-8-4-3-5-9-15(14)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyNADNDMVIDXLRRR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.51
Rot. Bonds4

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

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one (PubChem CID 79486027) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
PubChem CID79486027
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
SMILESCC(Cc1cccs1)N(C)C1CCCCCC1=O
InChIInChI=1S/C15H23NOS/c1-12(11-13-7-6-10-18-13)16(2)14-8-4-3-5-9-15(14)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyNADNDMVIDXLRRR-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005241
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79489426
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
N-methyl-2-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005064
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 79494889
2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
CID 79489459
1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79475974
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one?
The IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one (CID 79486027) is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one is CC(Cc1cccs1)N(C)C1CCCCCC1=O.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one?
The InChIKey is NADNDMVIDXLRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(11-13-7-6-10-18-13)16(2)14-8-4-3-5-9-15(14)17/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one?
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one has a molecular weight of 265.42 g/mol, XLogP of 3.51, 4 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-ylpropan-2-yl)amino]cycloheptan-1-one is sourced from PubChem (CID 79486027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).