2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide

C14H29NO3S — CID 65012566

IUPAC2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide
SMILESCCCC(COC1CCCC(CC)C1)CS(N)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-3-6-13(11-19(15,16)17)10-18-14-8-5-7-12(4-2)9-14/h12-14H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyMTRMPNWRFVFFLI-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.68
Rot. Bonds8

About 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide

2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide (PubChem CID 65012566) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide
PubChem CID65012566
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide
SMILESCCCC(COC1CCCC(CC)C1)CS(N)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-3-6-13(11-19(15,16)17)10-18-14-8-5-7-12(4-2)9-14/h12-14H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyMTRMPNWRFVFFLI-UHFFFAOYSA-N
XLogP2.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide?
The IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide (CID 65012566) is 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide?
The canonical SMILES for 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide is CCCC(COC1CCCC(CC)C1)CS(N)(=O)=O.
What is the InChIKey of 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide?
The InChIKey is MTRMPNWRFVFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-6-13(11-19(15,16)17)10-18-14-8-5-7-12(4-2)9-14/h12-14H,3-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide?
2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)oxymethyl]pentane-1-sulfonamide is sourced from PubChem (CID 65012566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).