N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide

C6H11NO2S — CID 89149079

IUPACN-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide
SMILESC=C[C@@H]1C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-3-5-4-6(5)7-10(2,8)9/h3,5-7H,1,4H2,2H3/t5-,6-/m1/s1
InChIKeyZYHZMGHZFSYBIN-PHDIDXHHSA-N
MW161.23 g/mol
LogP0.11
Rot. Bonds3

About N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide

N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide (PubChem CID 89149079) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide
PubChem CID89149079
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide
SMILESC=C[C@@H]1C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-3-5-4-6(5)7-10(2,8)9/h3,5-7H,1,4H2,2H3/t5-,6-/m1/s1
InChIKeyZYHZMGHZFSYBIN-PHDIDXHHSA-N
XLogP0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide?
The IUPAC name of N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide (CID 89149079) is N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide is C=C[C@@H]1C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide?
The InChIKey is ZYHZMGHZFSYBIN-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-3-5-4-6(5)7-10(2,8)9/h3,5-7H,1,4H2,2H3/t5-,6-/m1/s1.
What are the key properties of N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide?
N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide is sourced from PubChem (CID 89149079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).