1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide

C8H17NO4S — CID 64987276

IUPAC1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)CC1CC1)OC
InChIInChI=1S/C8H17NO4S/c1-12-8(13-2)5-9-14(10,11)6-7-3-4-7/h7-9H,3-6H2,1-2H3
InChIKeyRBHDSIBYAIJZOS-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.07
Rot. Bonds7

About 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide

1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide (PubChem CID 64987276) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide
PubChem CID64987276
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)CC1CC1)OC
InChIInChI=1S/C8H17NO4S/c1-12-8(13-2)5-9-14(10,11)6-7-3-4-7/h7-9H,3-6H2,1-2H3
InChIKeyRBHDSIBYAIJZOS-UHFFFAOYSA-N
XLogP-0.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide (CID 64987276) is 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide is COC(CNS(=O)(=O)CC1CC1)OC.
What is the InChIKey of 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
The InChIKey is RBHDSIBYAIJZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-12-8(13-2)5-9-14(10,11)6-7-3-4-7/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide?
1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide is sourced from PubChem (CID 64987276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).