1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane

C8H19N3O3S — CID 114959357

IUPAC1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane
SMILESNC1CCC(OCCNS(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O3S/c9-7-1-3-8(4-2-7)14-6-5-11-15(10,12)13/h7-8,11H,1-6,9H2,(H2,10,12,13)
InChIKeyWXUFDLSYKHCREK-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.93
Rot. Bonds5

About 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane

1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane (PubChem CID 114959357) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane.

Molecular Properties

Compound Name1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane
PubChem CID114959357
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane
SMILESNC1CCC(OCCNS(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O3S/c9-7-1-3-8(4-2-7)14-6-5-11-15(10,12)13/h7-8,11H,1-6,9H2,(H2,10,12,13)
InChIKeyWXUFDLSYKHCREK-UHFFFAOYSA-N
XLogP-0.93
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
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-(4-aminocyclohexyl)oxypropyl]cyclopropanesulfonamide
CID 64553496
N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylpropane-2-sulfonamide
CID 63870336
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 79592869
N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
CID 63869663
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
4-(3-methylsulfonylpropoxy)cyclohexan-1-amine
CID 63191393
4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
CID 65098075
4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
methyl 3-[3-(4-aminocyclohexyl)oxypropylsulfamoyl]propanoate
CID 63869662
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane?
The IUPAC name of 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane (CID 114959357) is 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane.
What is the SMILES notation for 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane?
The canonical SMILES for 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane is NC1CCC(OCCNS(N)(=O)=O)CC1.
What is the InChIKey of 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane?
The InChIKey is WXUFDLSYKHCREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c9-7-1-3-8(4-2-7)14-6-5-11-15(10,12)13/h7-8,11H,1-6,9H2,(H2,10,12,13).
What are the key properties of 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane?
1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane has a molecular weight of 237.32 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane is sourced from PubChem (CID 114959357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).