2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid

C14H21NO2S — CID 55145752

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
SMILESCN(Cc1cccs1)C1CCCCCC1C(=O)O
InChIInChI=1S/C14H21NO2S/c1-15(10-11-6-5-9-18-11)13-8-4-2-3-7-12(13)14(16)17/h5-6,9,12-13H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyQKSNKGGZJSKSHI-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.21
Rot. Bonds4

About 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid

2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 55145752) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
PubChem CID55145752
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
SMILESCN(Cc1cccs1)C1CCCCCC1C(=O)O
InChIInChI=1S/C14H21NO2S/c1-15(10-11-6-5-9-18-11)13-8-4-2-3-7-12(13)14(16)17/h5-6,9,12-13H,2-4,7-8,10H2,1H3,(H,16,17)
InChIKeyQKSNKGGZJSKSHI-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide
CID 70592604
2-[methyl-[(4-methylphenyl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63067382
4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
CID 54472374
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
CID 63072969
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid (CID 55145752) is 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid is CN(Cc1cccs1)C1CCCCCC1C(=O)O.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is QKSNKGGZJSKSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15(10-11-6-5-9-18-11)13-8-4-2-3-7-12(13)14(16)17/h5-6,9,12-13H,2-4,7-8,10H2,1H3,(H,16,17).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid?
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 55145752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).