1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol

C9H16N2OS — CID 66386015

IUPAC1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-9(2,12)6-11-5-8-7(10)3-4-13-8/h3-4,11-12H,5-6,10H2,1-2H3
InChIKeyJSMCDYWQTVWIJC-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.19
Rot. Bonds4

About 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol

1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol (PubChem CID 66386015) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol
PubChem CID66386015
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-9(2,12)6-11-5-8-7(10)3-4-13-8/h3-4,11-12H,5-6,10H2,1-2H3
InChIKeyJSMCDYWQTVWIJC-UHFFFAOYSA-N
XLogP1.19
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol 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 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol (CID 66386015) is 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol is CC(C)(O)CNCc1sccc1N.
What is the InChIKey of 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol?
The InChIKey is JSMCDYWQTVWIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,12)6-11-5-8-7(10)3-4-13-8/h3-4,11-12H,5-6,10H2,1-2H3.
What are the key properties of 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol?
1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 66386015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).