10-methylundecyl sulfamate

C12H27NO3S — CID 175528818

IUPAC10-methylundecyl sulfamate
SMILESCC(C)CCCCCCCCCOS(N)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-12(2)10-8-6-4-3-5-7-9-11-16-17(13,14)15/h12H,3-11H2,1-2H3,(H2,13,14,15)
InChIKeyVJQIDBYSPMBRFP-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.98
Rot. Bonds11

About 10-methylundecyl sulfamate

10-methylundecyl sulfamate (PubChem CID 175528818) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 10-methylundecyl sulfamate.

Molecular Properties

Compound Name10-methylundecyl sulfamate
PubChem CID175528818
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name10-methylundecyl sulfamate
SMILESCC(C)CCCCCCCCCOS(N)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-12(2)10-8-6-4-3-5-7-9-11-16-17(13,14)15/h12H,3-11H2,1-2H3,(H2,13,14,15)
InChIKeyVJQIDBYSPMBRFP-UHFFFAOYSA-N
XLogP2.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.98
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

6-methylheptyl methanesulfonate
CID 59379076
6-methylheptyl 6-methylheptane-1-sulfonate
CID 87243224
6-methylheptyl hydrogen sulfate;hydrate
CID 175139560
azane;6-methylheptyl hydrogen sulfate;hydrate
CID 175169706
dodecyl sulfamate;indigane
CID 174847120
iodo 6,10,14-trimethylpentadecyl sulfate
CID 118398305
2-aminobutan-1-ol;16-methylheptadecyl hydrogen sulfate
CID 175358776
bis(8-methylnonyl) carbonate
CID 23302119
bis(14-methylpentadecyl) oxalate
CID 88541014
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
sodium;2-hydroxypropanoate;16-methylheptadecyl hydrogen sulfate
CID 160574165
azane;6-methylheptyl benzenesulfonate
CID 166707110

Frequently Asked Questions

What is the IUPAC name of 10-methylundecyl sulfamate?
The IUPAC name of 10-methylundecyl sulfamate (CID 175528818) is 10-methylundecyl sulfamate.
What is the SMILES notation for 10-methylundecyl sulfamate?
The canonical SMILES for 10-methylundecyl sulfamate is CC(C)CCCCCCCCCOS(N)(=O)=O.
What is the InChIKey of 10-methylundecyl sulfamate?
The InChIKey is VJQIDBYSPMBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-12(2)10-8-6-4-3-5-7-9-11-16-17(13,14)15/h12H,3-11H2,1-2H3,(H2,13,14,15).
What are the key properties of 10-methylundecyl sulfamate?
10-methylundecyl sulfamate has a molecular weight of 265.42 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundecyl sulfamate is sourced from PubChem (CID 175528818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).