(2-fluorocyclopentyl)methyl-methylsulfamic acid

C7H14FNO3S — CID 147142110

IUPAC(2-fluorocyclopentyl)methyl-methylsulfamic acid
SMILESCN(CC1CCCC1F)S(=O)(=O)O
InChIInChI=1S/C7H14FNO3S/c1-9(13(10,11)12)5-6-3-2-4-7(6)8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyBSIHDTNOLAHCTP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.86
Rot. Bonds3

About (2-fluorocyclopentyl)methyl-methylsulfamic acid

(2-fluorocyclopentyl)methyl-methylsulfamic acid (PubChem CID 147142110) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is (2-fluorocyclopentyl)methyl-methylsulfamic acid.

Molecular Properties

Compound Name(2-fluorocyclopentyl)methyl-methylsulfamic acid
PubChem CID147142110
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Name(2-fluorocyclopentyl)methyl-methylsulfamic acid
SMILESCN(CC1CCCC1F)S(=O)(=O)O
InChIInChI=1S/C7H14FNO3S/c1-9(13(10,11)12)5-6-3-2-4-7(6)8/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyBSIHDTNOLAHCTP-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclopentyl)methyl-methylsulfamic acid?
The IUPAC name of (2-fluorocyclopentyl)methyl-methylsulfamic acid (CID 147142110) is (2-fluorocyclopentyl)methyl-methylsulfamic acid.
What is the SMILES notation for (2-fluorocyclopentyl)methyl-methylsulfamic acid?
The canonical SMILES for (2-fluorocyclopentyl)methyl-methylsulfamic acid is CN(CC1CCCC1F)S(=O)(=O)O.
What is the InChIKey of (2-fluorocyclopentyl)methyl-methylsulfamic acid?
The InChIKey is BSIHDTNOLAHCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3S/c1-9(13(10,11)12)5-6-3-2-4-7(6)8/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of (2-fluorocyclopentyl)methyl-methylsulfamic acid?
(2-fluorocyclopentyl)methyl-methylsulfamic acid has a molecular weight of 211.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopentyl)methyl-methylsulfamic acid is sourced from PubChem (CID 147142110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).