N-propan-2-ylmethanesulfonohydrazide

C4H12N2O2S — CID 18735133

IUPACN-propan-2-ylmethanesulfonohydrazide
SMILESCC(C)N(N)S(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-4(2)6(5)9(3,7)8/h4H,5H2,1-3H3
InChIKeyOSHRSNNTTOKZKN-UHFFFAOYSA-N
MW152.22 g/mol
LogP-0.47
Rot. Bonds2

About N-propan-2-ylmethanesulfonohydrazide

N-propan-2-ylmethanesulfonohydrazide (PubChem CID 18735133) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-propan-2-ylmethanesulfonohydrazide.

Molecular Properties

Compound NameN-propan-2-ylmethanesulfonohydrazide
PubChem CID18735133
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-propan-2-ylmethanesulfonohydrazide
SMILESCC(C)N(N)S(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-4(2)6(5)9(3,7)8/h4H,5H2,1-3H3
InChIKeyOSHRSNNTTOKZKN-UHFFFAOYSA-N
XLogP-0.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylmethanesulfonohydrazide?
The IUPAC name of N-propan-2-ylmethanesulfonohydrazide (CID 18735133) is N-propan-2-ylmethanesulfonohydrazide.
What is the SMILES notation for N-propan-2-ylmethanesulfonohydrazide?
The canonical SMILES for N-propan-2-ylmethanesulfonohydrazide is CC(C)N(N)S(C)(=O)=O.
What is the InChIKey of N-propan-2-ylmethanesulfonohydrazide?
The InChIKey is OSHRSNNTTOKZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-4(2)6(5)9(3,7)8/h4H,5H2,1-3H3.
What are the key properties of N-propan-2-ylmethanesulfonohydrazide?
N-propan-2-ylmethanesulfonohydrazide has a molecular weight of 152.22 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylmethanesulfonohydrazide is sourced from PubChem (CID 18735133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).