[4-(cyclopropylamino)thiolan-3-yl]methanol

C8H15NOS — CID 83871899

IUPAC[4-(cyclopropylamino)thiolan-3-yl]methanol
SMILESOCC1CSCC1NC1CC1
InChIInChI=1S/C8H15NOS/c10-3-6-4-11-5-8(6)9-7-1-2-7/h6-10H,1-5H2
InChIKeyYXAQRRVKQJQJRX-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.46
Rot. Bonds3

About [4-(cyclopropylamino)thiolan-3-yl]methanol

[4-(cyclopropylamino)thiolan-3-yl]methanol (PubChem CID 83871899) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is [4-(cyclopropylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylamino)thiolan-3-yl]methanol
PubChem CID83871899
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name[4-(cyclopropylamino)thiolan-3-yl]methanol
SMILESOCC1CSCC1NC1CC1
InChIInChI=1S/C8H15NOS/c10-3-6-4-11-5-8(6)9-7-1-2-7/h6-10H,1-5H2
InChIKeyYXAQRRVKQJQJRX-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylamino)thiolan-3-yl]methanol?
The IUPAC name of [4-(cyclopropylamino)thiolan-3-yl]methanol (CID 83871899) is [4-(cyclopropylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [4-(cyclopropylamino)thiolan-3-yl]methanol?
The canonical SMILES for [4-(cyclopropylamino)thiolan-3-yl]methanol is OCC1CSCC1NC1CC1.
What is the InChIKey of [4-(cyclopropylamino)thiolan-3-yl]methanol?
The InChIKey is YXAQRRVKQJQJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c10-3-6-4-11-5-8(6)9-7-1-2-7/h6-10H,1-5H2.
What are the key properties of [4-(cyclopropylamino)thiolan-3-yl]methanol?
[4-(cyclopropylamino)thiolan-3-yl]methanol has a molecular weight of 173.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 83871899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).