2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide

C13H25NO3S — CID 128583091

IUPAC2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCC1)NC[C@H]1CCCO1
InChIInChI=1S/C13H25NO3S/c15-18(16,14-11-13-7-4-9-17-13)10-8-12-5-2-1-3-6-12/h12-14H,1-11H2/t13-/m1/s1
InChIKeyLMMIARRASFGJEI-CYBMUJFWSA-N
MW275.41 g/mol
LogP2.06
Rot. Bonds6

About 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide

2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide (PubChem CID 128583091) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
PubChem CID128583091
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCC1)NC[C@H]1CCCO1
InChIInChI=1S/C13H25NO3S/c15-18(16,14-11-13-7-4-9-17-13)10-8-12-5-2-1-3-6-12/h12-14H,1-11H2/t13-/m1/s1
InChIKeyLMMIARRASFGJEI-CYBMUJFWSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide (CID 128583091) is 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide is O=S(=O)(CCC1CCCCC1)NC[C@H]1CCCO1.
What is the InChIKey of 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
The InChIKey is LMMIARRASFGJEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25NO3S/c15-18(16,14-11-13-7-4-9-17-13)10-8-12-5-2-1-3-6-12/h12-14H,1-11H2/t13-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide has a molecular weight of 275.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 128583091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).