(3,4-diaminothiophen-2-yl) pentanoate

C9H14N2O2S — CID 67634075

IUPAC(3,4-diaminothiophen-2-yl) pentanoate
SMILESCCCCC(=O)Oc1scc(N)c1N
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-7(12)13-9-8(11)6(10)5-14-9/h5H,2-4,10-11H2,1H3
InChIKeyQZVPPZIKZXBBFE-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.01
Rot. Bonds4

About (3,4-diaminothiophen-2-yl) pentanoate

(3,4-diaminothiophen-2-yl) pentanoate (PubChem CID 67634075) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (3,4-diaminothiophen-2-yl) pentanoate.

Molecular Properties

Compound Name(3,4-diaminothiophen-2-yl) pentanoate
PubChem CID67634075
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(3,4-diaminothiophen-2-yl) pentanoate
SMILESCCCCC(=O)Oc1scc(N)c1N
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-7(12)13-9-8(11)6(10)5-14-9/h5H,2-4,10-11H2,1H3
InChIKeyQZVPPZIKZXBBFE-UHFFFAOYSA-N
XLogP2.01
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-3-hydroxyphenyl) pentanoate
CID 57028782
(2-amino-6-hydroxyphenyl) pentanoate
CID 91194875
(2-amino-3,5-dichlorophenyl) pentanoate
CID 174707649
hydrazine;methyl pentanoate
CID 88709772
(2-amino-3-hydroxyphenyl) hexanoate
CID 70054664
(4-aminophenyl) hexadecanoate
CID 12781238
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
(3,5-dihydroxyphenyl) pentanoate
CID 67920605
(2,4-diaminophenyl) hexadecanoate
CID 67045818
[2-(2-ethylbutanoyloxy)phenyl] octanoate
CID 90025587
thiophen-2-ylmethyl dodecanoate
CID 139970081
(2,4-diaminophenyl) decanoate
CID 142660533

Frequently Asked Questions

What is the IUPAC name of (3,4-diaminothiophen-2-yl) pentanoate?
The IUPAC name of (3,4-diaminothiophen-2-yl) pentanoate (CID 67634075) is (3,4-diaminothiophen-2-yl) pentanoate.
What is the SMILES notation for (3,4-diaminothiophen-2-yl) pentanoate?
The canonical SMILES for (3,4-diaminothiophen-2-yl) pentanoate is CCCCC(=O)Oc1scc(N)c1N.
What is the InChIKey of (3,4-diaminothiophen-2-yl) pentanoate?
The InChIKey is QZVPPZIKZXBBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-3-4-7(12)13-9-8(11)6(10)5-14-9/h5H,2-4,10-11H2,1H3.
What are the key properties of (3,4-diaminothiophen-2-yl) pentanoate?
(3,4-diaminothiophen-2-yl) pentanoate has a molecular weight of 214.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminothiophen-2-yl) pentanoate is sourced from PubChem (CID 67634075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).