N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide

C8H15NO3S — CID 136581602

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide
SMILESCC[C@@H]1C[C@H]1NC(=O)CS(C)(=O)=O
InChIInChI=1S/C8H15NO3S/c1-3-6-4-7(6)9-8(10)5-13(2,11)12/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyRXTOJCHKUAGZCQ-RNFRBKRXSA-N
MW205.28 g/mol
LogP-0.05
Rot. Bonds4

About N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide

N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide (PubChem CID 136581602) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide
PubChem CID136581602
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide
SMILESCC[C@@H]1C[C@H]1NC(=O)CS(C)(=O)=O
InChIInChI=1S/C8H15NO3S/c1-3-6-4-7(6)9-8(10)5-13(2,11)12/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyRXTOJCHKUAGZCQ-RNFRBKRXSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide (CID 136581602) is N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide is CC[C@@H]1C[C@H]1NC(=O)CS(C)(=O)=O.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide?
The InChIKey is RXTOJCHKUAGZCQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-3-6-4-7(6)9-8(10)5-13(2,11)12/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide?
N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide has a molecular weight of 205.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 136581602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).