Methyl 4-(hexan-2-ylsulfamoyl)butanoate

Name: Methyl 4-(hexan-2-ylsulfamoyl)butanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₃NO₄S — CID 62200961

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

IUPACmethyl 4-(hexan-2-ylsulfamoyl)butanoate

SMILESCCCCC(C)NS(=O)(=O)CCCC(=O)OC

InChIInChI=1S/C11H23NO4S/c1-4-5-7-10(2)12-17(14,15)9-6-8-11(13)16-3/h10,12H,4-9H2,1-3H3

InChIKeyOIERVQZENGDWHK-UHFFFAOYSA-N

MW265.37 g/mol

LogP1.44

Rot. Bonds9

About Methyl 4-(hexan-2-ylsulfamoyl)butanoate

Methyl 4-(hexan-2-ylsulfamoyl)butanoate (PubChem CID 62200961) has the molecular formula C₁₁H₂₃NO₄S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 4-(hexan-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Name	Methyl 4-(hexan-2-ylsulfamoyl)butanoate
PubChem CID	62200961
Molecular Formula	C₁₁H₂₃NO₄S
Molecular Weight	265.37 g/mol
Exact Mass	265.13
IUPAC Name	methyl 4-(hexan-2-ylsulfamoyl)butanoate
SMILES	CCCCC(C)NS(=O)(=O)CCCC(=O)OC
InChI	InChI=1S/C11H23NO4S/c1-4-5-7-10(2)12-17(14,15)9-6-8-11(13)16-3/h10,12H,4-9H2,1-3H3
InChIKey	OIERVQZENGDWHK-UHFFFAOYSA-N
XLogP	1.44
TPSA	72.47 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.37
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 4-(hexan-2-ylsulfamoyl)butanoate?

The IUPAC name of Methyl 4-(hexan-2-ylsulfamoyl)butanoate (CID 62200961) is methyl 4-(hexan-2-ylsulfamoyl)butanoate.

What is the SMILES notation for Methyl 4-(hexan-2-ylsulfamoyl)butanoate?

The canonical SMILES for Methyl 4-(hexan-2-ylsulfamoyl)butanoate is CCCCC(C)NS(=O)(=O)CCCC(=O)OC.

What is the InChIKey of Methyl 4-(hexan-2-ylsulfamoyl)butanoate?

The InChIKey is OIERVQZENGDWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-5-7-10(2)12-17(14,15)9-6-8-11(13)16-3/h10,12H,4-9H2,1-3H3.

What are the key properties of Methyl 4-(hexan-2-ylsulfamoyl)butanoate?

Methyl 4-(hexan-2-ylsulfamoyl)butanoate has a molecular weight of 265.37 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 4-(hexan-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 62200961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 62200961 — identifiers, structure, computed properties (public domain)

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