(thiophen-2-ylmethylamino) 2-methylbutanoate

C10H15NO2S — CID 23185815

IUPAC(thiophen-2-ylmethylamino) 2-methylbutanoate
SMILESCCC(C)C(=O)ONCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-3-8(2)10(12)13-11-7-9-5-4-6-14-9/h4-6,8,11H,3,7H2,1-2H3
InChIKeyGJXSIGPPOSADQR-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.34
Rot. Bonds5

About (thiophen-2-ylmethylamino) 2-methylbutanoate

(thiophen-2-ylmethylamino) 2-methylbutanoate (PubChem CID 23185815) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (thiophen-2-ylmethylamino) 2-methylbutanoate.

Molecular Properties

Compound Name(thiophen-2-ylmethylamino) 2-methylbutanoate
PubChem CID23185815
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(thiophen-2-ylmethylamino) 2-methylbutanoate
SMILESCCC(C)C(=O)ONCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-3-8(2)10(12)13-11-7-9-5-4-6-14-9/h4-6,8,11H,3,7H2,1-2H3
InChIKeyGJXSIGPPOSADQR-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
ethyl 2-(thiophen-2-ylmethylamino)hexanoate
CID 61353160
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
ethyl 2-(thiophen-2-ylmethylamino)heptanoate
CID 54895021
ethyl 2-(thiophen-2-ylmethylamino)nonanoate
CID 63523767
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213

Frequently Asked Questions

What is the IUPAC name of (thiophen-2-ylmethylamino) 2-methylbutanoate?
The IUPAC name of (thiophen-2-ylmethylamino) 2-methylbutanoate (CID 23185815) is (thiophen-2-ylmethylamino) 2-methylbutanoate.
What is the SMILES notation for (thiophen-2-ylmethylamino) 2-methylbutanoate?
The canonical SMILES for (thiophen-2-ylmethylamino) 2-methylbutanoate is CCC(C)C(=O)ONCc1cccs1.
What is the InChIKey of (thiophen-2-ylmethylamino) 2-methylbutanoate?
The InChIKey is GJXSIGPPOSADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-8(2)10(12)13-11-7-9-5-4-6-14-9/h4-6,8,11H,3,7H2,1-2H3.
What are the key properties of (thiophen-2-ylmethylamino) 2-methylbutanoate?
(thiophen-2-ylmethylamino) 2-methylbutanoate has a molecular weight of 213.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (thiophen-2-ylmethylamino) 2-methylbutanoate is sourced from PubChem (CID 23185815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).