N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide

C11H24N2O3S — CID 114146871

IUPACN-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C11H24N2O3S/c1-2-16-6-7-17(14,15)13-9-10-4-3-5-11(12)8-10/h10-11,13H,2-9,12H2,1H3
InChIKeyYXQYUDHVILBQMJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds7

About N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide

N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide (PubChem CID 114146871) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
PubChem CID114146871
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C11H24N2O3S/c1-2-16-6-7-17(14,15)13-9-10-4-3-5-11(12)8-10/h10-11,13H,2-9,12H2,1H3
InChIKeyYXQYUDHVILBQMJ-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
N-[(3-bromocyclopentyl)methyl]-2-ethoxyethanesulfonamide
CID 106135009
2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide
CID 66006743
2-ethoxy-N-[(6-methylpiperidin-3-yl)methyl]ethanesulfonamide
CID 63245786
3-(3-ethoxypropyl)cyclohexan-1-amine
CID 65178011
N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 114146780
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126062
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
CID 119381316
N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
CID 106125438
3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126084
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide (CID 114146871) is N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide?
The InChIKey is YXQYUDHVILBQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-2-16-6-7-17(14,15)13-9-10-4-3-5-11(12)8-10/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide?
N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 114146871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).