2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid

C13H17NO3S — CID 64670782

IUPAC2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccsc2)CCCCC1
InChIInChI=1S/C13H17NO3S/c15-11(16)8-13(5-2-1-3-6-13)14-12(17)10-4-7-18-9-10/h4,7,9H,1-3,5-6,8H2,(H,14,17)(H,15,16)
InChIKeyPTDMOOATOMWNFN-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.66
Rot. Bonds4

About 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid

2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid (PubChem CID 64670782) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
PubChem CID64670782
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccsc2)CCCCC1
InChIInChI=1S/C13H17NO3S/c15-11(16)8-13(5-2-1-3-6-13)14-12(17)10-4-7-18-9-10/h4,7,9H,1-3,5-6,8H2,(H,14,17)(H,15,16)
InChIKeyPTDMOOATOMWNFN-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-(1,3-thiazole-4-carbonylamino)cyclopentyl]acetic acid
CID 64671214
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
CID 80722552

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid (CID 64670782) is 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2ccsc2)CCCCC1.
What is the InChIKey of 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid?
The InChIKey is PTDMOOATOMWNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-11(16)8-13(5-2-1-3-6-13)14-12(17)10-4-7-18-9-10/h4,7,9H,1-3,5-6,8H2,(H,14,17)(H,15,16).
What are the key properties of 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid?
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64670782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).