3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide

C11H17N3OS — CID 103526087

IUPAC3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCC1CC1Nc1cc(N)c(C(=O)N(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-6-4-8(6)13-9-5-7(12)10(16-9)11(15)14(2)3/h5-6,8,13H,4,12H2,1-3H3
InChIKeyWWWWXUAITJJQEP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.85
Rot. Bonds3

About 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide

3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (PubChem CID 103526087) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
PubChem CID103526087
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCC1CC1Nc1cc(N)c(C(=O)N(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-6-4-8(6)13-9-5-7(12)10(16-9)11(15)14(2)3/h5-6,8,13H,4,12H2,1-3H3
InChIKeyWWWWXUAITJJQEP-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (CID 103526087) is 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is CC1CC1Nc1cc(N)c(C(=O)N(C)C)s1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The InChIKey is WWWWXUAITJJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-6-4-8(6)13-9-5-7(12)10(16-9)11(15)14(2)3/h5-6,8,13H,4,12H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103526087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).