N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide

C9H17NO3S — CID 166638056

IUPACN-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)C1CC1
InChIInChI=1S/C9H17NO3S/c1-3-14(12,13)6-7(2)10-9(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyMKOVFTONGHITKZ-SSDOTTSWSA-N
MW219.31 g/mol
LogP0.34
Rot. Bonds5

About N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide

N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide (PubChem CID 166638056) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
PubChem CID166638056
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)C1CC1
InChIInChI=1S/C9H17NO3S/c1-3-14(12,13)6-7(2)10-9(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyMKOVFTONGHITKZ-SSDOTTSWSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide (CID 166638056) is N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide is CCS(=O)(=O)C[C@@H](C)NC(=O)C1CC1.
What is the InChIKey of N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide?
The InChIKey is MKOVFTONGHITKZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-14(12,13)6-7(2)10-9(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide?
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide has a molecular weight of 219.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166638056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).