1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid

C12H17NO2S — CID 61002074

IUPAC1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cccs2)CCCCC1
InChIInChI=1S/C12H17NO2S/c14-11(15)12(6-2-1-3-7-12)13-9-10-5-4-8-16-10/h4-5,8,13H,1-3,6-7,9H2,(H,14,15)
InChIKeyFDYVZDRDWXDDEW-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.63
Rot. Bonds4

About 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid

1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid (PubChem CID 61002074) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
PubChem CID61002074
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cccs2)CCCCC1
InChIInChI=1S/C12H17NO2S/c14-11(15)12(6-2-1-3-7-12)13-9-10-5-4-8-16-10/h4-5,8,13H,1-3,6-7,9H2,(H,14,15)
InChIKeyFDYVZDRDWXDDEW-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
CID 114818394
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxylic acid
CID 63166251
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-(2-thiophen-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61191882
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid (CID 61002074) is 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(NCc2cccs2)CCCCC1.
What is the InChIKey of 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FDYVZDRDWXDDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-11(15)12(6-2-1-3-7-12)13-9-10-5-4-8-16-10/h4-5,8,13H,1-3,6-7,9H2,(H,14,15).
What are the key properties of 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid?
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 239.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61002074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).