[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide

C14H29NO4S — CID 103491018

IUPAC[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
SMILESCCOCC(C)OCC1(CS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C14H29NO4S/c1-3-18-10-13(2)19-11-14(12-20(15,16)17)8-6-4-5-7-9-14/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyPXSBXZWQEHRKOE-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.06
Rot. Bonds8

About [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide

[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide (PubChem CID 103491018) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
PubChem CID103491018
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
SMILESCCOCC(C)OCC1(CS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C14H29NO4S/c1-3-18-10-13(2)19-11-14(12-20(15,16)17)8-6-4-5-7-9-14/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyPXSBXZWQEHRKOE-UHFFFAOYSA-N
XLogP2.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
CID 103285991
[1-(3-methylbutoxymethyl)cycloheptyl]methanesulfonamide
CID 65010385
[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 82010399
[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
CID 65010433
2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide
CID 103488419
3-(1-ethoxypropan-2-yloxy)-2-methylpropane-1-sulfonamide
CID 103491006
[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 65006896
[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
CID 65006992
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
[1-(cyclohexylmethoxymethyl)cycloheptyl]methanesulfonamide
CID 65009994
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide?
The IUPAC name of [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide (CID 103491018) is [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide.
What is the SMILES notation for [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide?
The canonical SMILES for [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide is CCOCC(C)OCC1(CS(N)(=O)=O)CCCCCC1.
What is the InChIKey of [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide?
The InChIKey is PXSBXZWQEHRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-3-18-10-13(2)19-11-14(12-20(15,16)17)8-6-4-5-7-9-14/h13H,3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide?
[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide is sourced from PubChem (CID 103491018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).