N-(2-methylpropyl)-N-tritiomethanesulfinamide

C5H13NOS — CID 58826094

IUPACN-(2-methylpropyl)-N-tritiomethanesulfinamide
SMILES[3H]N(CC(C)C)S(C)=O
InChIInChI=1S/C5H13NOS/c1-5(2)4-6-8(3)7/h5-6H,4H2,1-3H3/i/hT
InChIKeyVFLDFAWXTAXWNN-MNYXATJNSA-N
MW137.24 g/mol
LogP0.53
Rot. Bonds3

About N-(2-methylpropyl)-N-tritiomethanesulfinamide

N-(2-methylpropyl)-N-tritiomethanesulfinamide (PubChem CID 58826094) has the molecular formula C5H13NOS and a molecular weight of 137.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-tritiomethanesulfinamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-tritiomethanesulfinamide
PubChem CID58826094
Molecular FormulaC5H13NOS
Molecular Weight137.24 g/mol
Exact Mass137.08
IUPAC NameN-(2-methylpropyl)-N-tritiomethanesulfinamide
SMILES[3H]N(CC(C)C)S(C)=O
InChIInChI=1S/C5H13NOS/c1-5(2)4-6-8(3)7/h5-6H,4H2,1-3H3/i/hT
InChIKeyVFLDFAWXTAXWNN-MNYXATJNSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-tritiomethanesulfinamide?
The IUPAC name of N-(2-methylpropyl)-N-tritiomethanesulfinamide (CID 58826094) is N-(2-methylpropyl)-N-tritiomethanesulfinamide.
What is the SMILES notation for N-(2-methylpropyl)-N-tritiomethanesulfinamide?
The canonical SMILES for N-(2-methylpropyl)-N-tritiomethanesulfinamide is [3H]N(CC(C)C)S(C)=O.
What is the InChIKey of N-(2-methylpropyl)-N-tritiomethanesulfinamide?
The InChIKey is VFLDFAWXTAXWNN-MNYXATJNSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(2)4-6-8(3)7/h5-6H,4H2,1-3H3/i/hT.
What are the key properties of N-(2-methylpropyl)-N-tritiomethanesulfinamide?
N-(2-methylpropyl)-N-tritiomethanesulfinamide has a molecular weight of 137.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-tritiomethanesulfinamide is sourced from PubChem (CID 58826094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).