N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide

C12H21NO4S — CID 97261904

IUPACN-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide
SMILESCCN(C(=O)CS(=O)(=O)[C@H]1CCCOC1)C1CC1
InChIInChI=1S/C12H21NO4S/c1-2-13(10-5-6-10)12(14)9-18(15,16)11-4-3-7-17-8-11/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyVZPZYSMQKRKKPL-NSHDSACASA-N
MW275.37 g/mol
LogP0.59
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide

N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide (PubChem CID 97261904) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide
PubChem CID97261904
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC NameN-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide
SMILESCCN(C(=O)CS(=O)(=O)[C@H]1CCCOC1)C1CC1
InChIInChI=1S/C12H21NO4S/c1-2-13(10-5-6-10)12(14)9-18(15,16)11-4-3-7-17-8-11/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyVZPZYSMQKRKKPL-NSHDSACASA-N
XLogP0.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide (CID 97261904) is N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide is CCN(C(=O)CS(=O)(=O)[C@H]1CCCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide?
The InChIKey is VZPZYSMQKRKKPL-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO4S/c1-2-13(10-5-6-10)12(14)9-18(15,16)11-4-3-7-17-8-11/h10-11H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide?
N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide has a molecular weight of 275.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[(3S)-oxan-3-yl]sulfonylacetamide is sourced from PubChem (CID 97261904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).