N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide

C7H15NO2S — CID 59618343

IUPACN-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide
SMILESCC(C)[C@@H]1C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-5(2)6-4-7(6)8-11(3,9)10/h5-8H,4H2,1-3H3/t6-,7-/m0/s1
InChIKeyXMNVVERQPCPJOK-BQBZGAKWSA-N
MW177.27 g/mol
LogP0.58
Rot. Bonds3

About N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide

N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide (PubChem CID 59618343) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide
PubChem CID59618343
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide
SMILESCC(C)[C@@H]1C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-5(2)6-4-7(6)8-11(3,9)10/h5-8H,4H2,1-3H3/t6-,7-/m0/s1
InChIKeyXMNVVERQPCPJOK-BQBZGAKWSA-N
XLogP0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide (CID 59618343) is N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide is CC(C)[C@@H]1C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide?
The InChIKey is XMNVVERQPCPJOK-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5(2)6-4-7(6)8-11(3,9)10/h5-8H,4H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide?
N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-propan-2-ylcyclopropyl]methanesulfonamide is sourced from PubChem (CID 59618343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).