[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone

C15H22N2OS — CID 103421298

IUPAC[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCCCN(C)c1sc(C(=O)C2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H22N2OS/c1-3-8-17(2)15-11(9-4-5-9)12(16)14(19-15)13(18)10-6-7-10/h9-10H,3-8,16H2,1-2H3
InChIKeyISUZZNGHMVYTEA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.65
Rot. Bonds6

About [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103421298) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103421298
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCCCN(C)c1sc(C(=O)C2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H22N2OS/c1-3-8-17(2)15-11(9-4-5-9)12(16)14(19-15)13(18)10-6-7-10/h9-10H,3-8,16H2,1-2H3
InChIKeyISUZZNGHMVYTEA-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.65
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-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone (CID 103421298) is [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone is CCCN(C)c1sc(C(=O)C2CC2)c(N)c1C1CC1.
What is the InChIKey of [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is ISUZZNGHMVYTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-8-17(2)15-11(9-4-5-9)12(16)14(19-15)13(18)10-6-7-10/h9-10H,3-8,16H2,1-2H3.
What are the key properties of [3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 278.42 g/mol, XLogP of 3.65, 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-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103421298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).