hydroxymethylsulfamic acid

CH5NO4S — CID 23160175

IUPAChydroxymethylsulfamic acid
SMILESO=S(=O)(O)NCO
InChIInChI=1S/CH5NO4S/c3-1-2-7(4,5)6/h2-3H,1H2,(H,4,5,6)
InChIKeyCYADVKYACDAEFX-UHFFFAOYSA-N
MW127.12 g/mol
LogP-1.67
Rot. Bonds2

About hydroxymethylsulfamic acid

hydroxymethylsulfamic acid (PubChem CID 23160175) has the molecular formula CH5NO4S and a molecular weight of 127.12 g/mol. Its IUPAC name is hydroxymethylsulfamic acid.

Molecular Properties

Compound Namehydroxymethylsulfamic acid
PubChem CID23160175
Molecular FormulaCH5NO4S
Molecular Weight127.12 g/mol
Exact Mass126.99
IUPAC Namehydroxymethylsulfamic acid
SMILESO=S(=O)(O)NCO
InChIInChI=1S/CH5NO4S/c3-1-2-7(4,5)6/h2-3H,1H2,(H,4,5,6)
InChIKeyCYADVKYACDAEFX-UHFFFAOYSA-N
XLogP-1.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 5-1.67
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

10-hydroxydecylsulfamic acid
CID 151793979
ethylsulfamic acid;methane
CID 161279958
(ethylsulfamoylamino)methanol
CID 117126069
3-silylpropylsulfamic acid
CID 175043710
4-fluorobutylsulfamic acid
CID 163287147
6-chlorohexylsulfamic acid
CID 139889503
2-methylsulfanylethylsulfamic acid
CID 174221380
hydroxymethanesulfonic acid
CID 6411
hydroxymethanesulfonic acid
CID 162227916
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
benzene;chlorosulfamic acid
CID 87483362
sodium;3,3-dimethylbutylsulfamic acid;hydride
CID 173075108

Frequently Asked Questions

What is the IUPAC name of hydroxymethylsulfamic acid?
The IUPAC name of hydroxymethylsulfamic acid (CID 23160175) is hydroxymethylsulfamic acid.
What is the SMILES notation for hydroxymethylsulfamic acid?
The canonical SMILES for hydroxymethylsulfamic acid is O=S(=O)(O)NCO.
What is the InChIKey of hydroxymethylsulfamic acid?
The InChIKey is CYADVKYACDAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO4S/c3-1-2-7(4,5)6/h2-3H,1H2,(H,4,5,6).
What are the key properties of hydroxymethylsulfamic acid?
hydroxymethylsulfamic acid has a molecular weight of 127.12 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethylsulfamic acid is sourced from PubChem (CID 23160175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).