Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate

Name: Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₈O₄S — CID 107776725

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

IUPACmethyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate

SMILESCCCS(=O)(=O)CC1(CC(=O)OC)CC1

InChIInChI=1S/C10H18O4S/c1-3-6-15(12,13)8-10(4-5-10)7-9(11)14-2/h3-8H2,1-2H3

InChIKeyMXWWRCDOHVNXMJ-UHFFFAOYSA-N

MW234.32 g/mol

LogP1.15

Rot. Bonds6

About Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate

Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776725) has the molecular formula C₁₀H₁₈O₄S and a molecular weight of 234.32 g/mol. Its IUPAC name is methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Name	Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
PubChem CID	107776725
Molecular Formula	C₁₀H₁₈O₄S
Molecular Weight	234.32 g/mol
Exact Mass	234.09
IUPAC Name	methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
SMILES	CCCS(=O)(=O)CC1(CC(=O)OC)CC1
InChI	InChI=1S/C10H18O4S/c1-3-6-15(12,13)8-10(4-5-10)7-9(11)14-2/h3-8H2,1-2H3
InChIKey	MXWWRCDOHVNXMJ-UHFFFAOYSA-N
XLogP	1.15
TPSA	60.44 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.32
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate?

The IUPAC name of Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate (CID 107776725) is methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate.

What is the SMILES notation for Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate?

The canonical SMILES for Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate is CCCS(=O)(=O)CC1(CC(=O)OC)CC1.

What is the InChIKey of Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate?

The InChIKey is MXWWRCDOHVNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-3-6-15(12,13)8-10(4-5-10)7-9(11)14-2/h3-8H2,1-2H3.

What are the key properties of Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate?

Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 234.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 107776725 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.