N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide

C11H23NO4S — CID 97246599

IUPACN-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H]1CCCCC[C@@H]1CO
InChIInChI=1S/C11H23NO4S/c1-16-7-8-17(14,15)12-11-6-4-2-3-5-10(11)9-13/h10-13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeySKDXIBVHYWMKBY-MNOVXSKESA-N
MW265.37 g/mol
LogP0.49
Rot. Bonds6

About N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide

N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide (PubChem CID 97246599) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
PubChem CID97246599
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H]1CCCCC[C@@H]1CO
InChIInChI=1S/C11H23NO4S/c1-16-7-8-17(14,15)12-11-6-4-2-3-5-10(11)9-13/h10-13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeySKDXIBVHYWMKBY-MNOVXSKESA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate
CID 113340135
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
CID 115722501
N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 114297606
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide (CID 97246599) is N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)N[C@H]1CCCCC[C@@H]1CO.
What is the InChIKey of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide?
The InChIKey is SKDXIBVHYWMKBY-MNOVXSKESA-N. The full InChI is InChI=1S/C11H23NO4S/c1-16-7-8-17(14,15)12-11-6-4-2-3-5-10(11)9-13/h10-13H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide?
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 97246599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).