ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate

C15H24N2O2S — CID 103425371

IUPACethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate
SMILESCCCCCNc1sc(C(=O)OCC)c(N)c1C1CC1
InChIInChI=1S/C15H24N2O2S/c1-3-5-6-9-17-14-11(10-7-8-10)12(16)13(20-14)15(18)19-4-2/h10,17H,3-9,16H2,1-2H3
InChIKeyXEKAPTUTKFKYQQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.99
Rot. Bonds8

About ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate

ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate (PubChem CID 103425371) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate
PubChem CID103425371
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate
SMILESCCCCCNc1sc(C(=O)OCC)c(N)c1C1CC1
InChIInChI=1S/C15H24N2O2S/c1-3-5-6-9-17-14-11(10-7-8-10)12(16)13(20-14)15(18)19-4-2/h10,17H,3-9,16H2,1-2H3
InChIKeyXEKAPTUTKFKYQQ-UHFFFAOYSA-N
XLogP3.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-cyclopropyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420077
[3-amino-4-cyclopropyl-5-(hexylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103420087
ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103506893
ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228
methyl 3-amino-4-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103426194
ethyl 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427575
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
CID 103428671
1-[3-amino-4-cyclopropyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505948
methyl 3-amino-4-ethylsulfonyl-5-(pentylamino)thiophene-2-carboxylate
CID 103425454

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate (CID 103425371) is ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate is CCCCCNc1sc(C(=O)OCC)c(N)c1C1CC1.
What is the InChIKey of ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate?
The InChIKey is XEKAPTUTKFKYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-5-6-9-17-14-11(10-7-8-10)12(16)13(20-14)15(18)19-4-2/h10,17H,3-9,16H2,1-2H3.
What are the key properties of ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate?
ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103425371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).