3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide

C16H27N3OS — CID 103417843

IUPAC3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
SMILESCC(C)CCN(C)c1sc(C(=O)N(C)C)c(N)c1C1CC1
InChIInChI=1S/C16H27N3OS/c1-10(2)8-9-19(5)16-12(11-6-7-11)13(17)14(21-16)15(20)18(3)4/h10-11H,6-9,17H2,1-5H3
InChIKeySDQPEYXXJOXSKU-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.39
Rot. Bonds6

About 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide (PubChem CID 103417843) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
PubChem CID103417843
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
SMILESCC(C)CCN(C)c1sc(C(=O)N(C)C)c(N)c1C1CC1
InChIInChI=1S/C16H27N3OS/c1-10(2)8-9-19(5)16-12(11-6-7-11)13(17)14(21-16)15(20)18(3)4/h10-11H,6-9,17H2,1-5H3
InChIKeySDQPEYXXJOXSKU-UHFFFAOYSA-N
XLogP3.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide (CID 103417843) is 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide is CC(C)CCN(C)c1sc(C(=O)N(C)C)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide?
The InChIKey is SDQPEYXXJOXSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-10(2)8-9-19(5)16-12(11-6-7-11)13(17)14(21-16)15(20)18(3)4/h10-11H,6-9,17H2,1-5H3.
What are the key properties of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103417843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).