[3-(propylamino)thiolan-3-yl]methanol

C8H17NOS — CID 61054578

IUPAC[3-(propylamino)thiolan-3-yl]methanol
SMILESCCCNC1(CO)CCSC1
InChIInChI=1S/C8H17NOS/c1-2-4-9-8(6-10)3-5-11-7-8/h9-10H,2-7H2,1H3
InChIKeyZGQBNZVYHZNDBG-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds4

About [3-(propylamino)thiolan-3-yl]methanol

[3-(propylamino)thiolan-3-yl]methanol (PubChem CID 61054578) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is [3-(propylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(propylamino)thiolan-3-yl]methanol
PubChem CID61054578
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name[3-(propylamino)thiolan-3-yl]methanol
SMILESCCCNC1(CO)CCSC1
InChIInChI=1S/C8H17NOS/c1-2-4-9-8(6-10)3-5-11-7-8/h9-10H,2-7H2,1H3
InChIKeyZGQBNZVYHZNDBG-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 [3-(propylamino)thiolan-3-yl]methanol?
The IUPAC name of [3-(propylamino)thiolan-3-yl]methanol (CID 61054578) is [3-(propylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(propylamino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(propylamino)thiolan-3-yl]methanol is CCCNC1(CO)CCSC1.
What is the InChIKey of [3-(propylamino)thiolan-3-yl]methanol?
The InChIKey is ZGQBNZVYHZNDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-4-9-8(6-10)3-5-11-7-8/h9-10H,2-7H2,1H3.
What are the key properties of [3-(propylamino)thiolan-3-yl]methanol?
[3-(propylamino)thiolan-3-yl]methanol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 61054578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).