(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen

C16H26N2O2S2 — CID 158452922

IUPAC(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen
SMILESCNCCC(=O)c1cccs1.CNCC[C@H](O)c1cccs1.[H][H]
InChIInChI=1S/C8H13NOS.C8H11NOS.H2/c2*1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6-7,9-10H,4-5H2,1H3;2-3,6,9H,4-5H2,1H3;1H/t7-;;/m0../s1
InChIKeyHEFIFKGESZICGA-KLXURFKVSA-N
MW342.53 g/mol
LogP3.18
Rot. Bonds8

About (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen

(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen (PubChem CID 158452922) has the molecular formula C16H26N2O2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen.

Molecular Properties

Compound Name(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen
PubChem CID158452922
Molecular FormulaC16H26N2O2S2
Molecular Weight342.53 g/mol
Exact Mass342.14
IUPAC Name(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen
SMILESCNCCC(=O)c1cccs1.CNCC[C@H](O)c1cccs1.[H][H]
InChIInChI=1S/C8H13NOS.C8H11NOS.H2/c2*1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6-7,9-10H,4-5H2,1H3;2-3,6,9H,4-5H2,1H3;1H/t7-;;/m0../s1
InChIKeyHEFIFKGESZICGA-KLXURFKVSA-N
XLogP3.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen with MolForge

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Related Compounds

(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 11515325
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CID 158318321
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 94272976
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen?
The IUPAC name of (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen (CID 158452922) is (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen.
What is the SMILES notation for (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen?
The canonical SMILES for (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen is CNCCC(=O)c1cccs1.CNCC[C@H](O)c1cccs1.[H][H].
What is the InChIKey of (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen?
The InChIKey is HEFIFKGESZICGA-KLXURFKVSA-N. The full InChI is InChI=1S/C8H13NOS.C8H11NOS.H2/c2*1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6-7,9-10H,4-5H2,1H3;2-3,6,9H,4-5H2,1H3;1H/t7-;;/m0../s1.
What are the key properties of (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen?
(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen has a molecular weight of 342.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen is sourced from PubChem (CID 158452922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).