1-(thian-3-ylamino)propan-2-ol

C8H17NOS — CID 62873442

IUPAC1-(thian-3-ylamino)propan-2-ol
SMILESCC(O)CNC1CCCSC1
InChIInChI=1S/C8H17NOS/c1-7(10)5-9-8-3-2-4-11-6-8/h7-10H,2-6H2,1H3
InChIKeyBNJAIZVCDYXSQH-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds3

About 1-(thian-3-ylamino)propan-2-ol

1-(thian-3-ylamino)propan-2-ol (PubChem CID 62873442) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(thian-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(thian-3-ylamino)propan-2-ol
PubChem CID62873442
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-(thian-3-ylamino)propan-2-ol
SMILESCC(O)CNC1CCCSC1
InChIInChI=1S/C8H17NOS/c1-7(10)5-9-8-3-2-4-11-6-8/h7-10H,2-6H2,1H3
InChIKeyBNJAIZVCDYXSQH-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-3-ylamino)propan-2-ol?
The IUPAC name of 1-(thian-3-ylamino)propan-2-ol (CID 62873442) is 1-(thian-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(thian-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(thian-3-ylamino)propan-2-ol is CC(O)CNC1CCCSC1.
What is the InChIKey of 1-(thian-3-ylamino)propan-2-ol?
The InChIKey is BNJAIZVCDYXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(10)5-9-8-3-2-4-11-6-8/h7-10H,2-6H2,1H3.
What are the key properties of 1-(thian-3-ylamino)propan-2-ol?
1-(thian-3-ylamino)propan-2-ol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-3-ylamino)propan-2-ol is sourced from PubChem (CID 62873442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).