1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol

C11H20N2OS — CID 62335508

IUPAC1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(c1ccsc1)C(C)N
InChIInChI=1S/C11H20N2OS/c1-8(14)6-13(3)11(9(2)12)10-4-5-15-7-10/h4-5,7-9,11,14H,6,12H2,1-3H3
InChIKeyZSDANDFSPHSSOH-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.45
Rot. Bonds5

About 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol

1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol (PubChem CID 62335508) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol
PubChem CID62335508
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)C(c1ccsc1)C(C)N
InChIInChI=1S/C11H20N2OS/c1-8(14)6-13(3)11(9(2)12)10-4-5-15-7-10/h4-5,7-9,11,14H,6,12H2,1-3H3
InChIKeyZSDANDFSPHSSOH-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(2-methylbutan-2-yl)-1-thiophen-3-ylpropane-1,2-diamine
CID 63983723
1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475669
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
CID 63013897
2-[(2-amino-1-thiophen-3-ylbutyl)-methylamino]propan-1-ol
CID 104551255
1-thiophen-3-ylethanol
CID 12744375
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
CID 79477887
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
2-[2-hydroxyethyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749719
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol (CID 62335508) is 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol is CC(O)CN(C)C(c1ccsc1)C(C)N.
What is the InChIKey of 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol?
The InChIKey is ZSDANDFSPHSSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(14)6-13(3)11(9(2)12)10-4-5-15-7-10/h4-5,7-9,11,14H,6,12H2,1-3H3.
What are the key properties of 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol?
1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1-thiophen-3-ylpropyl)-methylamino]propan-2-ol is sourced from PubChem (CID 62335508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).