3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide

C10H15N3O2S — CID 103507144

IUPAC3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCC2CCOC2)cc1N
InChIInChI=1S/C10H15N3O2S/c11-7-3-8(16-9(7)10(12)14)13-4-6-1-2-15-5-6/h3,6,13H,1-2,4-5,11H2,(H2,12,14)
InChIKeyFKKAIOHYFIEUGL-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.88
Rot. Bonds4

About 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide

3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide (PubChem CID 103507144) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
PubChem CID103507144
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCC2CCOC2)cc1N
InChIInChI=1S/C10H15N3O2S/c11-7-3-8(16-9(7)10(12)14)13-4-6-1-2-15-5-6/h3,6,13H,1-2,4-5,11H2,(H2,12,14)
InChIKeyFKKAIOHYFIEUGL-UHFFFAOYSA-N
XLogP0.88
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
3-amino-4-(oxolan-3-ylmethylamino)benzamide
CID 62822752
3-amino-4-methylsulfonyl-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
CID 103507182
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 61112790
6-amino-N-(oxolan-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542906
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide (CID 103507144) is 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide is NC(=O)c1sc(NCC2CCOC2)cc1N.
What is the InChIKey of 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is FKKAIOHYFIEUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-7-3-8(16-9(7)10(12)14)13-4-6-1-2-15-5-6/h3,6,13H,1-2,4-5,11H2,(H2,12,14).
What are the key properties of 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide?
3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103507144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).