N,N-dimethylpropan-1-amine;thiophene-2,3-diol

C9H17NO2S — CID 44828550

IUPACN,N-dimethylpropan-1-amine;thiophene-2,3-diol
SMILESCCCN(C)C.Oc1ccsc1O
InChIInChI=1S/C5H13N.C4H4O2S/c1-4-5-6(2)3;5-3-1-2-7-4(3)6/h4-5H2,1-3H3;1-2,5-6H
InChIKeyOQXRXSXDGHROFU-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.12
Rot. Bonds2

About N,N-dimethylpropan-1-amine;thiophene-2,3-diol

N,N-dimethylpropan-1-amine;thiophene-2,3-diol (PubChem CID 44828550) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;thiophene-2,3-diol.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;thiophene-2,3-diol
PubChem CID44828550
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN,N-dimethylpropan-1-amine;thiophene-2,3-diol
SMILESCCCN(C)C.Oc1ccsc1O
InChIInChI=1S/C5H13N.C4H4O2S/c1-4-5-6(2)3;5-3-1-2-7-4(3)6/h4-5H2,1-3H3;1-2,5-6H
InChIKeyOQXRXSXDGHROFU-UHFFFAOYSA-N
XLogP2.12
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;thiophene-2,3-diol?
The IUPAC name of N,N-dimethylpropan-1-amine;thiophene-2,3-diol (CID 44828550) is N,N-dimethylpropan-1-amine;thiophene-2,3-diol.
What is the SMILES notation for N,N-dimethylpropan-1-amine;thiophene-2,3-diol?
The canonical SMILES for N,N-dimethylpropan-1-amine;thiophene-2,3-diol is CCCN(C)C.Oc1ccsc1O.
What is the InChIKey of N,N-dimethylpropan-1-amine;thiophene-2,3-diol?
The InChIKey is OQXRXSXDGHROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C4H4O2S/c1-4-5-6(2)3;5-3-1-2-7-4(3)6/h4-5H2,1-3H3;1-2,5-6H.
What are the key properties of N,N-dimethylpropan-1-amine;thiophene-2,3-diol?
N,N-dimethylpropan-1-amine;thiophene-2,3-diol has a molecular weight of 203.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;thiophene-2,3-diol is sourced from PubChem (CID 44828550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).