6-methylheptylsulfamic acid

C8H19NO3S — CID 87283481

IUPAC6-methylheptylsulfamic acid
SMILESCC(C)CCCCCNS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-8(2)6-4-3-5-7-9-13(10,11)12/h8-9H,3-7H2,1-2H3,(H,10,11,12)
InChIKeyKKRADYFWBDFKGX-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.60
Rot. Bonds7

About 6-methylheptylsulfamic acid

6-methylheptylsulfamic acid (PubChem CID 87283481) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 6-methylheptylsulfamic acid.

Molecular Properties

Compound Name6-methylheptylsulfamic acid
PubChem CID87283481
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name6-methylheptylsulfamic acid
SMILESCC(C)CCCCCNS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-8(2)6-4-3-5-7-9-13(10,11)12/h8-9H,3-7H2,1-2H3,(H,10,11,12)
InChIKeyKKRADYFWBDFKGX-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)methanesulfonamide
CID 58970685
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
2-(5-methylhexylsulfamoyl)propanoic acid
CID 115325022
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
16-methylheptadecane-1-sulfonic acid
CID 19380804
2-(7-methyloctylsulfamoyl)butanethioamide
CID 107815257
2-(5-methylhexylsulfamoyl)propanethioamide
CID 115325716
10-hydroxydecylsulfamic acid
CID 151793979
2-(6-methylheptylamino)ethanol
CID 23342125
azane;6-methylheptan-1-ol;sulfuric acid
CID 174550383
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
CID 107818588
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740

Frequently Asked Questions

What is the IUPAC name of 6-methylheptylsulfamic acid?
The IUPAC name of 6-methylheptylsulfamic acid (CID 87283481) is 6-methylheptylsulfamic acid.
What is the SMILES notation for 6-methylheptylsulfamic acid?
The canonical SMILES for 6-methylheptylsulfamic acid is CC(C)CCCCCNS(=O)(=O)O.
What is the InChIKey of 6-methylheptylsulfamic acid?
The InChIKey is KKRADYFWBDFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(2)6-4-3-5-7-9-13(10,11)12/h8-9H,3-7H2,1-2H3,(H,10,11,12).
What are the key properties of 6-methylheptylsulfamic acid?
6-methylheptylsulfamic acid has a molecular weight of 209.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptylsulfamic acid is sourced from PubChem (CID 87283481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).