hexane;sulfamide

C6H18N2O2S — CID 87750585

IUPAChexane;sulfamide
SMILESCCCCCC.NS(N)(=O)=O
InChIInChI=1S/C6H14.H4N2O2S/c1-3-5-6-4-2;1-5(2,3)4/h3-6H2,1-2H3;(H4,1,2,3,4)
InChIKeySXEZYBJHXNEZLK-UHFFFAOYSA-N
MW182.29 g/mol
LogP0.74
Rot. Bonds3

About hexane;sulfamide

hexane;sulfamide (PubChem CID 87750585) has the molecular formula C6H18N2O2S and a molecular weight of 182.29 g/mol. Its IUPAC name is hexane;sulfamide.

Molecular Properties

Compound Namehexane;sulfamide
PubChem CID87750585
Molecular FormulaC6H18N2O2S
Molecular Weight182.29 g/mol
Exact Mass182.11
IUPAC Namehexane;sulfamide
SMILESCCCCCC.NS(N)(=O)=O
InChIInChI=1S/C6H14.H4N2O2S/c1-3-5-6-4-2;1-5(2,3)4/h3-6H2,1-2H3;(H4,1,2,3,4)
InChIKeySXEZYBJHXNEZLK-UHFFFAOYSA-N
XLogP0.74
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175918224
CID 175918224
butane-1-sulfonamide;dihydrochloride
CID 140980497
tetralithium;hexane;hydride
CID 174784043
azane;1-(sulfamoylamino)pentane
CID 87509026
sodium;sulfuric acid;tetradecane
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disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
dodecyl sulfamate;indigane
CID 174847120

Frequently Asked Questions

What is the IUPAC name of hexane;sulfamide?
The IUPAC name of hexane;sulfamide (CID 87750585) is hexane;sulfamide.
What is the SMILES notation for hexane;sulfamide?
The canonical SMILES for hexane;sulfamide is CCCCCC.NS(N)(=O)=O.
What is the InChIKey of hexane;sulfamide?
The InChIKey is SXEZYBJHXNEZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.H4N2O2S/c1-3-5-6-4-2;1-5(2,3)4/h3-6H2,1-2H3;(H4,1,2,3,4).
What are the key properties of hexane;sulfamide?
hexane;sulfamide has a molecular weight of 182.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;sulfamide is sourced from PubChem (CID 87750585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).