N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide

C10H22N2O3S — CID 63258881

IUPACN-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1CCCCCC1N
InChIInChI=1S/C10H22N2O3S/c1-15-7-8-16(13,14)12-10-6-4-2-3-5-9(10)11/h9-10,12H,2-8,11H2,1H3
InChIKeyIXDDEHHZMRRRFB-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.21
Rot. Bonds5

About N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide

N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide (PubChem CID 63258881) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
PubChem CID63258881
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1CCCCCC1N
InChIInChI=1S/C10H22N2O3S/c1-15-7-8-16(13,14)12-10-6-4-2-3-5-9(10)11/h9-10,12H,2-8,11H2,1H3
InChIKeyIXDDEHHZMRRRFB-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide
CID 59537552
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
CID 59537762
2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070
2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine
CID 64644745
2-(3-methoxypropylsulfonyl)cyclooctan-1-amine
CID 64673487

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide (CID 63258881) is N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1CCCCCC1N.
What is the InChIKey of N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide?
The InChIKey is IXDDEHHZMRRRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-7-8-16(13,14)12-10-6-4-2-3-5-9(10)11/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide?
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 63258881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).