2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide

C7H13NO4S — CID 71078472

IUPAC2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(N)(=O)=O)CC1C1COCO1
InChIInChI=1S/C7H13NO4S/c1-7(13(8,9)10)2-5(7)6-3-11-4-12-6/h5-6H,2-4H2,1H3,(H2,8,9,10)
InChIKeyQYSFVDJOCLSEGJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.57
Rot. Bonds2

About 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide

2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide (PubChem CID 71078472) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide
PubChem CID71078472
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(N)(=O)=O)CC1C1COCO1
InChIInChI=1S/C7H13NO4S/c1-7(13(8,9)10)2-5(7)6-3-11-4-12-6/h5-6H,2-4H2,1H3,(H2,8,9,10)
InChIKeyQYSFVDJOCLSEGJ-UHFFFAOYSA-N
XLogP-0.57
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide (CID 71078472) is 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide is CC1(S(N)(=O)=O)CC1C1COCO1.
What is the InChIKey of 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide?
The InChIKey is QYSFVDJOCLSEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-7(13(8,9)10)2-5(7)6-3-11-4-12-6/h5-6H,2-4H2,1H3,(H2,8,9,10).
What are the key properties of 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide?
2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide has a molecular weight of 207.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-4-yl)-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 71078472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).