N-[3-(methylamino)propyl]ethanesulfinamide

C6H16N2OS — CID 126639040

IUPACN-[3-(methylamino)propyl]ethanesulfinamide
SMILESCCS(=O)NCCCNC
InChIInChI=1S/C6H16N2OS/c1-3-10(9)8-6-4-5-7-2/h7-8H,3-6H2,1-2H3
InChIKeyXNYULLMAYWEYRN-UHFFFAOYSA-N
MW164.27 g/mol
LogP-0.13
Rot. Bonds6

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

N-[3-(methylamino)propyl]ethanesulfinamide (PubChem CID 126639040) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]ethanesulfinamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]ethanesulfinamide
PubChem CID126639040
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC NameN-[3-(methylamino)propyl]ethanesulfinamide
SMILESCCS(=O)NCCCNC
InChIInChI=1S/C6H16N2OS/c1-3-10(9)8-6-4-5-7-2/h7-8H,3-6H2,1-2H3
InChIKeyXNYULLMAYWEYRN-UHFFFAOYSA-N
XLogP-0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 5-0.13
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]ethanesulfinamide?
The IUPAC name of N-[3-(methylamino)propyl]ethanesulfinamide (CID 126639040) is N-[3-(methylamino)propyl]ethanesulfinamide.
What is the SMILES notation for N-[3-(methylamino)propyl]ethanesulfinamide?
The canonical SMILES for N-[3-(methylamino)propyl]ethanesulfinamide is CCS(=O)NCCCNC.
What is the InChIKey of N-[3-(methylamino)propyl]ethanesulfinamide?
The InChIKey is XNYULLMAYWEYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c1-3-10(9)8-6-4-5-7-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[3-(methylamino)propyl]ethanesulfinamide?
N-[3-(methylamino)propyl]ethanesulfinamide has a molecular weight of 164.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]ethanesulfinamide is sourced from PubChem (CID 126639040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).