(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol

Name: (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₅NOS — CID 114269925

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol

SMILESCSC1(C(O)c2cccc3ncccc23)CC1

InChIInChI=1S/C14H15NOS/c1-17-14(7-8-14)13(16)11-4-2-6-12-10(11)5-3-9-15-12/h2-6,9,13,16H,7-8H2,1H3

InChIKeyOBAULSQVDWIVMU-UHFFFAOYSA-N

MW245.35 g/mol

LogP3.16

Rot. Bonds3

About (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol

(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol (PubChem CID 114269925) has the molecular formula C₁₄H₁₅NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name	(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol
PubChem CID	114269925
Molecular Formula	C₁₄H₁₅NOS
Molecular Weight	245.35 g/mol
Exact Mass	245.09
IUPAC Name	(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol
SMILES	CSC1(C(O)c2cccc3ncccc23)CC1
InChI	InChI=1S/C14H15NOS/c1-17-14(7-8-14)13(16)11-4-2-6-12-10(11)5-3-9-15-12/h2-6,9,13,16H,7-8H2,1H3
InChIKey	OBAULSQVDWIVMU-UHFFFAOYSA-N
XLogP	3.16
TPSA	33.12 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.35
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?

The IUPAC name of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol (CID 114269925) is (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol.

What is the SMILES notation for (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?

The canonical SMILES for (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol is CSC1(C(O)c2cccc3ncccc23)CC1.

What is the InChIKey of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?

The InChIKey is OBAULSQVDWIVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-17-14(7-8-14)13(16)11-4-2-6-12-10(11)5-3-9-15-12/h2-6,9,13,16H,7-8H2,1H3.

What are the key properties of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?

(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol has a molecular weight of 245.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol is sourced from PubChem (CID 114269925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 114269925 — identifiers, structure, computed properties (public domain)

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