dodecyl sulfamate;indigane

C12H30InNO3S — CID 174847120

IUPACdodecyl sulfamate;indigane
SMILESCCCCCCCCCCCCOS(N)(=O)=O.[InH3]
InChIInChI=1S/C12H27NO3S.In.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H2,13,14,15);;;;
InChIKeyBDADOEODBJOSKU-UHFFFAOYSA-N
MW383.26 g/mol
LogP1.94
Rot. Bonds12

About dodecyl sulfamate;indigane

dodecyl sulfamate;indigane (PubChem CID 174847120) has the molecular formula C12H30InNO3S and a molecular weight of 383.26 g/mol. Its IUPAC name is dodecyl sulfamate;indigane.

Molecular Properties

Compound Namedodecyl sulfamate;indigane
PubChem CID174847120
Molecular FormulaC12H30InNO3S
Molecular Weight383.26 g/mol
Exact Mass383.10
IUPAC Namedodecyl sulfamate;indigane
SMILESCCCCCCCCCCCCOS(N)(=O)=O.[InH3]
InChIInChI=1S/C12H27NO3S.In.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H2,13,14,15);;;;
InChIKeyBDADOEODBJOSKU-UHFFFAOYSA-N
XLogP1.94
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 87410650
CID 87410650
1-chlorosulfonyloxyoctane
CID 54334787
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
azanium didodecyl sulfate
CID 23617704
butyl hexadecyl sulfate
CID 174632644
magnesium dihexyl sulfate
CID 21125103
sodium dihexadecyl sulfate
CID 23616668
undeca-4,5-dienyl sulfamate
CID 118600711
diheptoxy-oxo-sulfanylidene-λ6-sulfane
CID 174817638
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
2-aminoethyl dodecyl sulfate
CID 87208961

Frequently Asked Questions

What is the IUPAC name of dodecyl sulfamate;indigane?
The IUPAC name of dodecyl sulfamate;indigane (CID 174847120) is dodecyl sulfamate;indigane.
What is the SMILES notation for dodecyl sulfamate;indigane?
The canonical SMILES for dodecyl sulfamate;indigane is CCCCCCCCCCCCOS(N)(=O)=O.[InH3].
What is the InChIKey of dodecyl sulfamate;indigane?
The InChIKey is BDADOEODBJOSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S.In.3H/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;;;/h2-12H2,1H3,(H2,13,14,15);;;;.
What are the key properties of dodecyl sulfamate;indigane?
dodecyl sulfamate;indigane has a molecular weight of 383.26 g/mol, XLogP of 1.94, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl sulfamate;indigane is sourced from PubChem (CID 174847120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).