[[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate

C10H24N6O3S — CID 175540744

IUPAC[[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate
SMILESCCCCCCCCNS(=O)(=O)ON=C(N)N=C(N)N
InChIInChI=1S/C10H24N6O3S/c1-2-3-4-5-6-7-8-14-20(17,18)19-16-10(13)15-9(11)12/h14H,2-8H2,1H3,(H6,11,12,13,15,16)
InChIKeyLSPPFUQQVFYIAF-UHFFFAOYSA-N
MW308.41 g/mol
LogP-0.30
Rot. Bonds10

About [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate

[[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate (PubChem CID 175540744) has the molecular formula C10H24N6O3S and a molecular weight of 308.41 g/mol. Its IUPAC name is [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate.

Molecular Properties

Compound Name[[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate
PubChem CID175540744
Molecular FormulaC10H24N6O3S
Molecular Weight308.41 g/mol
Exact Mass308.16
IUPAC Name[[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate
SMILESCCCCCCCCNS(=O)(=O)ON=C(N)N=C(N)N
InChIInChI=1S/C10H24N6O3S/c1-2-3-4-5-6-7-8-14-20(17,18)19-16-10(13)15-9(11)12/h14H,2-8H2,1H3,(H6,11,12,13,15,16)
InChIKeyLSPPFUQQVFYIAF-UHFFFAOYSA-N
XLogP-0.30
TPSA158.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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azane;1-(sulfamoylamino)pentane
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sulfuric acid;tridecane
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1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
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sodium N-octadecylsulfamate
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CID 19681427
N-(dodecylsulfamoyl)formamide
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butane;ethane;methanesulfonic acid;octane
CID 144526252
sodium;sulfuric acid;tetradecane
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pentylsulfamoylformic acid
CID 87632774

Frequently Asked Questions

What is the IUPAC name of [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate?
The IUPAC name of [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate (CID 175540744) is [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate.
What is the SMILES notation for [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate?
The canonical SMILES for [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate is CCCCCCCCNS(=O)(=O)ON=C(N)N=C(N)N.
What is the InChIKey of [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate?
The InChIKey is LSPPFUQQVFYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N6O3S/c1-2-3-4-5-6-7-8-14-20(17,18)19-16-10(13)15-9(11)12/h14H,2-8H2,1H3,(H6,11,12,13,15,16).
What are the key properties of [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate?
[[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate has a molecular weight of 308.41 g/mol, XLogP of -0.30, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate is sourced from PubChem (CID 175540744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).