CID 67466393

C3H7NNaO3S — CID 67466393

IUPAC—
SMILESO=S(=O)(O)NC1CC1.[Na]
InChIInChI=1S/C3H7NO3S.Na/c5-8(6,7)4-3-1-2-3;/h3-4H,1-2H2,(H,5,6,7);
InChIKeyKGULYYLPOPGMCM-UHFFFAOYSA-N
MW160.15 g/mol
LogP-0.84
Rot. Bonds2

About CID 67466393

CID 67466393 (PubChem CID 67466393) has the molecular formula C3H7NNaO3S and a molecular weight of 160.15 g/mol.

Molecular Properties

Compound NameCID 67466393
PubChem CID67466393
Molecular FormulaC3H7NNaO3S
Molecular Weight160.15 g/mol
Exact Mass160.00
IUPAC Name—
SMILESO=S(=O)(O)NC1CC1.[Na]
InChIInChI=1S/C3H7NO3S.Na/c5-8(6,7)4-3-1-2-3;/h3-4H,1-2H2,(H,5,6,7);
InChIKeyKGULYYLPOPGMCM-UHFFFAOYSA-N
XLogP-0.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropylsulfamoyl chloride
CID 22279368
(2-Fluorocyclopropyl)sulfamic acid
CID 22435343
(Sulfinatoamino)cyclopropane
CID 17989907
Cyclopropylsulfamate
CID 21801555
Cyclopropylsulfamic acid
CID 21801556
sodium N-cyclopropylsulfamate
CID 67465512
(Hydroxysulfonothioylamino)cyclopropane
CID 88889019
(Disulfanylsulfonylamino)cyclopropane
CID 132123202
Cyclopropylsulfamic acid;hydrate
CID 144414810
Cyclopropanamine;sulfuric acid
CID 160327471
N-cyclopropylsulfamoyl iodide
CID 163498537
Sodium;cyclopropylsulfamic acid;hydride
CID 173075066

Frequently Asked Questions

What is the IUPAC name of CID 67466393?
The IUPAC name of CID 67466393 (CID 67466393) is not available.
What is the SMILES notation for CID 67466393?
The canonical SMILES for CID 67466393 is O=S(=O)(O)NC1CC1.[Na].
What is the InChIKey of CID 67466393?
The InChIKey is KGULYYLPOPGMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S.Na/c5-8(6,7)4-3-1-2-3;/h3-4H,1-2H2,(H,5,6,7);.
What are the key properties of CID 67466393?
CID 67466393 has a molecular weight of 160.15 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67466393 is sourced from PubChem (CID 67466393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).