(1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol

C8H15NOS — CID 89232301

IUPAC(1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol
SMILESCNCC[C@H](O)C1CC=CS1
InChIInChI=1S/C8H15NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2,6-10H,3-5H2,1H3/t7-,8?/m0/s1
InChIKeyQTPPDYZRORFKPP-JAMMHHFISA-N
MW173.28 g/mol
LogP0.98
Rot. Bonds4

About (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol

(1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol (PubChem CID 89232301) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol
PubChem CID89232301
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name(1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol
SMILESCNCC[C@H](O)C1CC=CS1
InChIInChI=1S/C8H15NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2,6-10H,3-5H2,1H3/t7-,8?/m0/s1
InChIKeyQTPPDYZRORFKPP-JAMMHHFISA-N
XLogP0.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol?
The IUPAC name of (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol (CID 89232301) is (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol?
The canonical SMILES for (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol is CNCC[C@H](O)C1CC=CS1.
What is the InChIKey of (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol?
The InChIKey is QTPPDYZRORFKPP-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2,6-10H,3-5H2,1H3/t7-,8?/m0/s1.
What are the key properties of (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol?
(1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol has a molecular weight of 173.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydrothiophen-2-yl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 89232301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).