trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide

C13H23NO4S — CID 124607954

IUPACtrans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide
SMILESCOCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C13H23NO4S/c1-18-7-8-19(16,17)14-13(15)12-9-11(12)10-5-3-2-4-6-10/h10-12H,2-9H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyNKIBYXHRYHNAFM-VXGBXAGGSA-N
MW289.40 g/mol
LogP1.30
Rot. Bonds6

About trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 124607954) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide
PubChem CID124607954
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Nametrans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide
SMILESCOCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C13H23NO4S/c1-18-7-8-19(16,17)14-13(15)12-9-11(12)10-5-3-2-4-6-10/h10-12H,2-9H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyNKIBYXHRYHNAFM-VXGBXAGGSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide (CID 124607954) is trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide is COCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1.
What is the InChIKey of trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is NKIBYXHRYHNAFM-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-18-7-8-19(16,17)14-13(15)12-9-11(12)10-5-3-2-4-6-10/h10-12H,2-9H2,1H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-cyclohexyl-N-(2-methoxyethylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124607954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).