3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile

C15H23N3OS — CID 103422080

IUPAC3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC1CCCN(c2sc(C#N)c(N)c2OC(C)C)CC1
InChIInChI=1S/C15H23N3OS/c1-10(2)19-14-13(17)12(9-16)20-15(14)18-7-4-5-11(3)6-8-18/h10-11H,4-8,17H2,1-3H3
InChIKeySBAIZLRCMPGMIT-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.62
Rot. Bonds3

About 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile

3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 103422080) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID103422080
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC1CCCN(c2sc(C#N)c(N)c2OC(C)C)CC1
InChIInChI=1S/C15H23N3OS/c1-10(2)19-14-13(17)12(9-16)20-15(14)18-7-4-5-11(3)6-8-18/h10-11H,4-8,17H2,1-3H3
InChIKeySBAIZLRCMPGMIT-UHFFFAOYSA-N
XLogP3.62
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile (CID 103422080) is 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile is CC1CCCN(c2sc(C#N)c(N)c2OC(C)C)CC1.
What is the InChIKey of 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is SBAIZLRCMPGMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(2)19-14-13(17)12(9-16)20-15(14)18-7-4-5-11(3)6-8-18/h10-11H,4-8,17H2,1-3H3.
What are the key properties of 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 293.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 103422080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).