N-[3-(methylamino)propyl]methanesulfinamide

C5H14N2OS — CID 126639205

IUPACN-[3-(methylamino)propyl]methanesulfinamide
SMILESCNCCCNS(C)=O
InChIInChI=1S/C5H14N2OS/c1-6-4-3-5-7-9(2)8/h6-7H,3-5H2,1-2H3
InChIKeyHQYSZKVDTGMCIB-UHFFFAOYSA-N
MW150.25 g/mol
LogP-0.52
Rot. Bonds5

About N-[3-(methylamino)propyl]methanesulfinamide

N-[3-(methylamino)propyl]methanesulfinamide (PubChem CID 126639205) has the molecular formula C5H14N2OS and a molecular weight of 150.25 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]methanesulfinamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]methanesulfinamide
PubChem CID126639205
Molecular FormulaC5H14N2OS
Molecular Weight150.25 g/mol
Exact Mass150.08
IUPAC NameN-[3-(methylamino)propyl]methanesulfinamide
SMILESCNCCCNS(C)=O
InChIInChI=1S/C5H14N2OS/c1-6-4-3-5-7-9(2)8/h6-7H,3-5H2,1-2H3
InChIKeyHQYSZKVDTGMCIB-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]methanesulfinamide?
The IUPAC name of N-[3-(methylamino)propyl]methanesulfinamide (CID 126639205) is N-[3-(methylamino)propyl]methanesulfinamide.
What is the SMILES notation for N-[3-(methylamino)propyl]methanesulfinamide?
The canonical SMILES for N-[3-(methylamino)propyl]methanesulfinamide is CNCCCNS(C)=O.
What is the InChIKey of N-[3-(methylamino)propyl]methanesulfinamide?
The InChIKey is HQYSZKVDTGMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2OS/c1-6-4-3-5-7-9(2)8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-[3-(methylamino)propyl]methanesulfinamide?
N-[3-(methylamino)propyl]methanesulfinamide has a molecular weight of 150.25 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]methanesulfinamide is sourced from PubChem (CID 126639205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).