N-(4,4-dimethylpentyl)sulfamoyl fluoride

C7H16FNO2S — CID 59881111

IUPACN-(4,4-dimethylpentyl)sulfamoyl fluoride
SMILESCC(C)(C)CCCNS(=O)(=O)F
InChIInChI=1S/C7H16FNO2S/c1-7(2,3)5-4-6-9-12(8,10)11/h9H,4-6H2,1-3H3
InChIKeyBTNMRYNEGGRAEC-UHFFFAOYSA-N
MW197.27 g/mol
LogP1.62
Rot. Bonds4

About N-(4,4-dimethylpentyl)sulfamoyl fluoride

N-(4,4-dimethylpentyl)sulfamoyl fluoride (PubChem CID 59881111) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)sulfamoyl fluoride
PubChem CID59881111
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC NameN-(4,4-dimethylpentyl)sulfamoyl fluoride
SMILESCC(C)(C)CCCNS(=O)(=O)F
InChIInChI=1S/C7H16FNO2S/c1-7(2,3)5-4-6-9-12(8,10)11/h9H,4-6H2,1-3H3
InChIKeyBTNMRYNEGGRAEC-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107
2,4,4-Trimethyl-1-(sulfinatoamino)pentane
CID 57421733
4,4-Dimethylpentylsulfamic acid
CID 87283508
4,4-Dimethyl-1-(sulfinatoamino)pentane
CID 91803050
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
CID 110611315
4,4-Dimethyl-1-(sulfinoamino)pentane
CID 91803051
2,2-dimethyl-N-(2-methylpropylsulfamoyl)pentane-1,5-diamine
CID 106141699
N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine
CID 106141799
2,2-dimethyl-N-(methylsulfamoyl)pentane-1,5-diamine
CID 106141802
2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine
CID 106141897
5-Amino-2,2-dimethyl-1-(sulfamoylamino)pentane
CID 106141921
N-(ethylsulfamoyl)-4,4-dimethylpentan-1-amine
CID 110611316

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)sulfamoyl fluoride?
The IUPAC name of N-(4,4-dimethylpentyl)sulfamoyl fluoride (CID 59881111) is N-(4,4-dimethylpentyl)sulfamoyl fluoride.
What is the SMILES notation for N-(4,4-dimethylpentyl)sulfamoyl fluoride?
The canonical SMILES for N-(4,4-dimethylpentyl)sulfamoyl fluoride is CC(C)(C)CCCNS(=O)(=O)F.
What is the InChIKey of N-(4,4-dimethylpentyl)sulfamoyl fluoride?
The InChIKey is BTNMRYNEGGRAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-7(2,3)5-4-6-9-12(8,10)11/h9H,4-6H2,1-3H3.
What are the key properties of N-(4,4-dimethylpentyl)sulfamoyl fluoride?
N-(4,4-dimethylpentyl)sulfamoyl fluoride has a molecular weight of 197.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)sulfamoyl fluoride is sourced from PubChem (CID 59881111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).