[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid

C5H9NO5S — CID 89156337

IUPAC[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)C1(CO)CC1
InChIInChI=1S/C5H9NO5S/c7-3-5(1-2-5)12(10,11)6-4(8)9/h6-7H,1-3H2,(H,8,9)
InChIKeyKIKQFTYEESANRH-UHFFFAOYSA-N
MW195.20 g/mol
LogP-0.89
Rot. Bonds3

About [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid

[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid (PubChem CID 89156337) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid
PubChem CID89156337
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Name[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)C1(CO)CC1
InChIInChI=1S/C5H9NO5S/c7-3-5(1-2-5)12(10,11)6-4(8)9/h6-7H,1-3H2,(H,8,9)
InChIKeyKIKQFTYEESANRH-UHFFFAOYSA-N
XLogP-0.89
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid?
The IUPAC name of [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid (CID 89156337) is [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid.
What is the SMILES notation for [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid?
The canonical SMILES for [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid is O=C(O)NS(=O)(=O)C1(CO)CC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid?
The InChIKey is KIKQFTYEESANRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S/c7-3-5(1-2-5)12(10,11)6-4(8)9/h6-7H,1-3H2,(H,8,9).
What are the key properties of [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid?
[1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid has a molecular weight of 195.20 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclopropyl]sulfonylcarbamic acid is sourced from PubChem (CID 89156337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).