8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid

C16H23NO2S — CID 114818394

IUPAC8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(NCc2cccs2)CCC2(CCCC2)CC1
InChIInChI=1S/C16H23NO2S/c18-14(19)16(17-12-13-4-3-11-20-13)9-7-15(8-10-16)5-1-2-6-15/h3-4,11,17H,1-2,5-10,12H2,(H,18,19)
InChIKeyKQMPNRGMAIZOKG-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.80
Rot. Bonds4

About 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid

8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid (PubChem CID 114818394) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
PubChem CID114818394
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1(NCc2cccs2)CCC2(CCCC2)CC1
InChIInChI=1S/C16H23NO2S/c18-14(19)16(17-12-13-4-3-11-20-13)9-7-15(8-10-16)5-1-2-6-15/h3-4,11,17H,1-2,5-10,12H2,(H,18,19)
InChIKeyKQMPNRGMAIZOKG-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxylic acid
CID 63166251
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
5-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61001699

Frequently Asked Questions

What is the IUPAC name of 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid (CID 114818394) is 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid is O=C(O)C1(NCc2cccs2)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid?
The InChIKey is KQMPNRGMAIZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-14(19)16(17-12-13-4-3-11-20-13)9-7-15(8-10-16)5-1-2-6-15/h3-4,11,17H,1-2,5-10,12H2,(H,18,19).
What are the key properties of 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid?
8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid has a molecular weight of 293.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 114818394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).