N-methylsulfonyl-N'-propylmethanesulfonohydrazide

C5H14N2O4S2 — CID 87789096

IUPACN-methylsulfonyl-N'-propylmethanesulfonohydrazide
SMILESCCCNN(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h6H,4-5H2,1-3H3
InChIKeyFMFLDSDEUSXSMV-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.88
Rot. Bonds5

About N-methylsulfonyl-N'-propylmethanesulfonohydrazide

N-methylsulfonyl-N'-propylmethanesulfonohydrazide (PubChem CID 87789096) has the molecular formula C5H14N2O4S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methylsulfonyl-N'-propylmethanesulfonohydrazide.

Molecular Properties

Compound NameN-methylsulfonyl-N'-propylmethanesulfonohydrazide
PubChem CID87789096
Molecular FormulaC5H14N2O4S2
Molecular Weight230.31 g/mol
Exact Mass230.04
IUPAC NameN-methylsulfonyl-N'-propylmethanesulfonohydrazide
SMILESCCCNN(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C5H14N2O4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h6H,4-5H2,1-3H3
InChIKeyFMFLDSDEUSXSMV-UHFFFAOYSA-N
XLogP-0.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N'-propylmethanesulfonohydrazide?
The IUPAC name of N-methylsulfonyl-N'-propylmethanesulfonohydrazide (CID 87789096) is N-methylsulfonyl-N'-propylmethanesulfonohydrazide.
What is the SMILES notation for N-methylsulfonyl-N'-propylmethanesulfonohydrazide?
The canonical SMILES for N-methylsulfonyl-N'-propylmethanesulfonohydrazide is CCCNN(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-N'-propylmethanesulfonohydrazide?
The InChIKey is FMFLDSDEUSXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h6H,4-5H2,1-3H3.
What are the key properties of N-methylsulfonyl-N'-propylmethanesulfonohydrazide?
N-methylsulfonyl-N'-propylmethanesulfonohydrazide has a molecular weight of 230.31 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N'-propylmethanesulfonohydrazide is sourced from PubChem (CID 87789096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).