3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide

C11H17N3OS — CID 103509542

IUPAC3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)CC2CC2)cc1N
InChIInChI=1S/C11H17N3OS/c1-13-11(15)10-8(12)5-9(16-10)14(2)6-7-3-4-7/h5,7H,3-4,6,12H2,1-2H3,(H,13,15)
InChIKeyYWZICEOQKWNENH-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide

3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide (PubChem CID 103509542) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
PubChem CID103509542
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)CC2CC2)cc1N
InChIInChI=1S/C11H17N3OS/c1-13-11(15)10-8(12)5-9(16-10)14(2)6-7-3-4-7/h5,7H,3-4,6,12H2,1-2H3,(H,13,15)
InChIKeyYWZICEOQKWNENH-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide (CID 103509542) is 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(N(C)CC2CC2)cc1N.
What is the InChIKey of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
The InChIKey is YWZICEOQKWNENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-11(15)10-8(12)5-9(16-10)14(2)6-7-3-4-7/h5,7H,3-4,6,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103509542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).