3-(cyclohexylamino)propyl sulfite

C9H18NO3S- — CID 57055219

IUPAC3-(cyclohexylamino)propyl sulfite
SMILESO=S([O-])OCCCNC1CCCCC1
InChIInChI=1S/C9H19NO3S/c11-14(12)13-8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12)/p-1
InChIKeyDFGIEONCVJRCMW-UHFFFAOYSA-M
MW220.31 g/mol
LogP1.11
Rot. Bonds6

About 3-(cyclohexylamino)propyl sulfite

3-(cyclohexylamino)propyl sulfite (PubChem CID 57055219) has the molecular formula C9H18NO3S- and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(cyclohexylamino)propyl sulfite.

Molecular Properties

Compound Name3-(cyclohexylamino)propyl sulfite
PubChem CID57055219
Molecular FormulaC9H18NO3S-
Molecular Weight220.31 g/mol
Exact Mass220.10
IUPAC Name3-(cyclohexylamino)propyl sulfite
SMILESO=S([O-])OCCCNC1CCCCC1
InChIInChI=1S/C9H19NO3S/c11-14(12)13-8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12)/p-1
InChIKeyDFGIEONCVJRCMW-UHFFFAOYSA-M
XLogP1.11
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.11
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

4-(cyclohexylamino)butyl sulfite
CID 91264096
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
4-(cyclohexylamino)butanal
CID 140677611
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
N-(2-ethylsulfinylethyl)cycloheptanamine
CID 115627115

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)propyl sulfite?
The IUPAC name of 3-(cyclohexylamino)propyl sulfite (CID 57055219) is 3-(cyclohexylamino)propyl sulfite.
What is the SMILES notation for 3-(cyclohexylamino)propyl sulfite?
The canonical SMILES for 3-(cyclohexylamino)propyl sulfite is O=S([O-])OCCCNC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)propyl sulfite?
The InChIKey is DFGIEONCVJRCMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO3S/c11-14(12)13-8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12)/p-1.
What are the key properties of 3-(cyclohexylamino)propyl sulfite?
3-(cyclohexylamino)propyl sulfite has a molecular weight of 220.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)propyl sulfite is sourced from PubChem (CID 57055219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).