N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide

C13H27NO2S — CID 70939973

IUPACN-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCC[C@@H]1C[C@@H]1CCN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-6-11-10-12(11)8-9-14(17(5,15)16)13(3,4)7-2/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyZCXAPFPVNQVFOH-NEPJUHHUSA-N
MW261.43 g/mol
LogP2.87
Rot. Bonds7

About N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide

N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide (PubChem CID 70939973) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide
PubChem CID70939973
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCC[C@@H]1C[C@@H]1CCN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-6-11-10-12(11)8-9-14(17(5,15)16)13(3,4)7-2/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyZCXAPFPVNQVFOH-NEPJUHHUSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide (CID 70939973) is N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide is CC[C@@H]1C[C@@H]1CCN(C(C)(C)CC)S(C)(=O)=O.
What is the InChIKey of N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The InChIKey is ZCXAPFPVNQVFOH-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-6-11-10-12(11)8-9-14(17(5,15)16)13(3,4)7-2/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 70939973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).