10-hydroxydecylsulfamic acid

C10H23NO4S — CID 151793979

IUPAC10-hydroxydecylsulfamic acid
SMILESO=S(=O)(O)NCCCCCCCCCCO
InChIInChI=1S/C10H23NO4S/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h11-12H,1-10H2,(H,13,14,15)
InChIKeyUEMYNPDGKNAQMX-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.49
Rot. Bonds11

About 10-hydroxydecylsulfamic acid

10-hydroxydecylsulfamic acid (PubChem CID 151793979) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 10-hydroxydecylsulfamic acid.

Molecular Properties

Compound Name10-hydroxydecylsulfamic acid
PubChem CID151793979
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name10-hydroxydecylsulfamic acid
SMILESO=S(=O)(O)NCCCCCCCCCCO
InChIInChI=1S/C10H23NO4S/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h11-12H,1-10H2,(H,13,14,15)
InChIKeyUEMYNPDGKNAQMX-UHFFFAOYSA-N
XLogP1.49
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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CID 139889503
3-silylpropylsulfamic acid
CID 175043710
4-fluorobutylsulfamic acid
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CID 106844119
1-(diethylsulfamoylamino)-5-hydroxypentane
CID 107319491
6-methylheptylsulfamic acid
CID 87283481
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
heptane-1,7-diol;sulfamic acid
CID 174999895
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
5-(cyclopropylsulfamoylamino)pentan-1-ol
CID 107319496
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecylsulfamic acid?
The IUPAC name of 10-hydroxydecylsulfamic acid (CID 151793979) is 10-hydroxydecylsulfamic acid.
What is the SMILES notation for 10-hydroxydecylsulfamic acid?
The canonical SMILES for 10-hydroxydecylsulfamic acid is O=S(=O)(O)NCCCCCCCCCCO.
What is the InChIKey of 10-hydroxydecylsulfamic acid?
The InChIKey is UEMYNPDGKNAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h11-12H,1-10H2,(H,13,14,15).
What are the key properties of 10-hydroxydecylsulfamic acid?
10-hydroxydecylsulfamic acid has a molecular weight of 253.36 g/mol, XLogP of 1.49, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecylsulfamic acid is sourced from PubChem (CID 151793979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).