4-(cyclohexylamino)butyl sulfite

C10H20NO3S- — CID 91264096

IUPAC4-(cyclohexylamino)butyl sulfite
SMILESO=S([O-])OCCCCNC1CCCCC1
InChIInChI=1S/C10H21NO3S/c12-15(13)14-9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13)/p-1
InChIKeyYOVYXPAKZRNVHF-UHFFFAOYSA-M
MW234.34 g/mol
LogP1.50
Rot. Bonds7

About 4-(cyclohexylamino)butyl sulfite

4-(cyclohexylamino)butyl sulfite (PubChem CID 91264096) has the molecular formula C10H20NO3S- and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(cyclohexylamino)butyl sulfite.

Molecular Properties

Compound Name4-(cyclohexylamino)butyl sulfite
PubChem CID91264096
Molecular FormulaC10H20NO3S-
Molecular Weight234.34 g/mol
Exact Mass234.12
IUPAC Name4-(cyclohexylamino)butyl sulfite
SMILESO=S([O-])OCCCCNC1CCCCC1
InChIInChI=1S/C10H21NO3S/c12-15(13)14-9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13)/p-1
InChIKeyYOVYXPAKZRNVHF-UHFFFAOYSA-M
XLogP1.50
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylamino)propyl sulfite
CID 57055219
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
6-(cyclohexylamino)hexyl formate
CID 87065748
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
4-(cyclohexylamino)butanal
CID 140677611
N-dodecylcyclohexanamine
CID 3679395

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)butyl sulfite?
The IUPAC name of 4-(cyclohexylamino)butyl sulfite (CID 91264096) is 4-(cyclohexylamino)butyl sulfite.
What is the SMILES notation for 4-(cyclohexylamino)butyl sulfite?
The canonical SMILES for 4-(cyclohexylamino)butyl sulfite is O=S([O-])OCCCCNC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)butyl sulfite?
The InChIKey is YOVYXPAKZRNVHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21NO3S/c12-15(13)14-9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13)/p-1.
What are the key properties of 4-(cyclohexylamino)butyl sulfite?
4-(cyclohexylamino)butyl sulfite has a molecular weight of 234.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)butyl sulfite is sourced from PubChem (CID 91264096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).