6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid

C12H18N2O3S — CID 63244762

IUPAC6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCc1ccsc1
InChIInChI=1S/C12H18N2O3S/c15-11(16)4-2-1-3-6-13-12(17)14-8-10-5-7-18-9-10/h5,7,9H,1-4,6,8H2,(H,15,16)(H2,13,14,17)
InChIKeyLWQVBRIWBFUIHB-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.19
Rot. Bonds8

About 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid

6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid (PubChem CID 63244762) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
PubChem CID63244762
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCc1ccsc1
InChIInChI=1S/C12H18N2O3S/c15-11(16)4-2-1-3-6-13-12(17)14-8-10-5-7-18-9-10/h5,7,9H,1-4,6,8H2,(H,15,16)(H2,13,14,17)
InChIKeyLWQVBRIWBFUIHB-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
CID 63244412
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
6-thiophen-3-ylhexanoic acid
CID 24722734
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
2-(thiophen-3-ylmethylcarbamoylamino)pentanedioic acid
CID 55175256
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
7-(1,2-oxazol-5-ylmethylcarbamoylamino)heptanoic acid
CID 114186663
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid (CID 63244762) is 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)NCc1ccsc1.
What is the InChIKey of 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid?
The InChIKey is LWQVBRIWBFUIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-11(16)4-2-1-3-6-13-12(17)14-8-10-5-7-18-9-10/h5,7,9H,1-4,6,8H2,(H,15,16)(H2,13,14,17).
What are the key properties of 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid?
6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 63244762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).