1-(1-benzothiophen-7-ylamino)propan-2-ol

C11H13NOS — CID 131140520

IUPAC1-(1-benzothiophen-7-ylamino)propan-2-ol
SMILESCC(O)CNc1cccc2ccsc12
InChIInChI=1S/C11H13NOS/c1-8(13)7-12-10-4-2-3-9-5-6-14-11(9)10/h2-6,8,12-13H,7H2,1H3
InChIKeySXHQSANVCDKUNQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.69
Rot. Bonds3

About 1-(1-benzothiophen-7-ylamino)propan-2-ol

1-(1-benzothiophen-7-ylamino)propan-2-ol (PubChem CID 131140520) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-ylamino)propan-2-ol
PubChem CID131140520
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-(1-benzothiophen-7-ylamino)propan-2-ol
SMILESCC(O)CNc1cccc2ccsc12
InChIInChI=1S/C11H13NOS/c1-8(13)7-12-10-4-2-3-9-5-6-14-11(9)10/h2-6,8,12-13H,7H2,1H3
InChIKeySXHQSANVCDKUNQ-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-ylamino)propan-2-ol?
The IUPAC name of 1-(1-benzothiophen-7-ylamino)propan-2-ol (CID 131140520) is 1-(1-benzothiophen-7-ylamino)propan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-ylamino)propan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-7-ylamino)propan-2-ol is CC(O)CNc1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-ylamino)propan-2-ol?
The InChIKey is SXHQSANVCDKUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8(13)7-12-10-4-2-3-9-5-6-14-11(9)10/h2-6,8,12-13H,7H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-ylamino)propan-2-ol?
1-(1-benzothiophen-7-ylamino)propan-2-ol has a molecular weight of 207.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-ylamino)propan-2-ol is sourced from PubChem (CID 131140520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).