2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol

C11H20FNOS2 — CID 153389688

IUPAC2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol
SMILESCCCS(C)(N)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C11H20FNOS2/c1-5-6-16(4,13)10-8(12)7-9(15-10)11(2,3)14/h7,14H,5-6,13H2,1-4H3
InChIKeyLPDNEZXEWYDATM-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.19
Rot. Bonds4

About 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol

2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol (PubChem CID 153389688) has the molecular formula C11H20FNOS2 and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol
PubChem CID153389688
Molecular FormulaC11H20FNOS2
Molecular Weight265.42 g/mol
Exact Mass265.10
IUPAC Name2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol
SMILESCCCS(C)(N)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C11H20FNOS2/c1-5-6-16(4,13)10-8(12)7-9(15-10)11(2,3)14/h7,14H,5-6,13H2,1-4H3
InChIKeyLPDNEZXEWYDATM-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-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 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol (CID 153389688) is 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol is CCCS(C)(N)c1sc(C(C)(C)O)cc1F.
What is the InChIKey of 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol?
The InChIKey is LPDNEZXEWYDATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNOS2/c1-5-6-16(4,13)10-8(12)7-9(15-10)11(2,3)14/h7,14H,5-6,13H2,1-4H3.
What are the key properties of 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol?
2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol has a molecular weight of 265.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(amino-methyl-propyl-λ4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol is sourced from PubChem (CID 153389688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).