[amino(fluoro)methyl]sulfamic acid

CH5FN2O3S — CID 174914281

IUPAC[amino(fluoro)methyl]sulfamic acid
SMILESNC(F)NS(=O)(=O)O
InChIInChI=1S/CH5FN2O3S/c2-1(3)4-8(5,6)7/h1,4H,3H2,(H,5,6,7)
InChIKeyLZHPKJDRRDJFAF-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.41
Rot. Bonds2

About [amino(fluoro)methyl]sulfamic acid

[amino(fluoro)methyl]sulfamic acid (PubChem CID 174914281) has the molecular formula CH5FN2O3S and a molecular weight of 144.13 g/mol. Its IUPAC name is [amino(fluoro)methyl]sulfamic acid.

Molecular Properties

Compound Name[amino(fluoro)methyl]sulfamic acid
PubChem CID174914281
Molecular FormulaCH5FN2O3S
Molecular Weight144.13 g/mol
Exact Mass144.00
IUPAC Name[amino(fluoro)methyl]sulfamic acid
SMILESNC(F)NS(=O)(=O)O
InChIInChI=1S/CH5FN2O3S/c2-1(3)4-8(5,6)7/h1,4H,3H2,(H,5,6,7)
InChIKeyLZHPKJDRRDJFAF-UHFFFAOYSA-N
XLogP-1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-aminoethylsulfamic acid
CID 22145165
(1-chloro-2-fluorobutyl)sulfamic acid
CID 57180735
(1-chloro-3-fluorobutyl)sulfamic acid
CID 57262363
N-[amino(fluoro)methyl]hydroxylamine
CID 58260514
copper;difluoromethanesulfonic acid
CID 174361368
1,2-difluoroethanol;methanesulfonic acid
CID 175310742
fluoro(sulfanyl)methanesulfonic acid
CID 175256377
[(E)-5-chlorohex-4-en-2-yl]sulfamic acid
CID 174275050
1-aminoethanol;trifluoromethanesulfonic acid
CID 87298984
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
fluorosulfonylsulfamic acid
CID 140798090
1,1-difluoroethane;sulfurochloridic acid
CID 161235804

Frequently Asked Questions

What is the IUPAC name of [amino(fluoro)methyl]sulfamic acid?
The IUPAC name of [amino(fluoro)methyl]sulfamic acid (CID 174914281) is [amino(fluoro)methyl]sulfamic acid.
What is the SMILES notation for [amino(fluoro)methyl]sulfamic acid?
The canonical SMILES for [amino(fluoro)methyl]sulfamic acid is NC(F)NS(=O)(=O)O.
What is the InChIKey of [amino(fluoro)methyl]sulfamic acid?
The InChIKey is LZHPKJDRRDJFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5FN2O3S/c2-1(3)4-8(5,6)7/h1,4H,3H2,(H,5,6,7).
What are the key properties of [amino(fluoro)methyl]sulfamic acid?
[amino(fluoro)methyl]sulfamic acid has a molecular weight of 144.13 g/mol, XLogP of -1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(fluoro)methyl]sulfamic acid is sourced from PubChem (CID 174914281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).