2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide

C14H29NOS — CID 102107438

IUPAC2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide
SMILESC=CCC(C)(CCCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C14H29NOS/c1-7-9-10-12-14(6,11-8-2)15-17(16)13(3,4)5/h8,15H,2,7,9-12H2,1,3-6H3
InChIKeyRHCIFTSZCGAJND-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.95
Rot. Bonds8

About 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide

2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide (PubChem CID 102107438) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide
PubChem CID102107438
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide
SMILESC=CCC(C)(CCCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C14H29NOS/c1-7-9-10-12-14(6,11-8-2)15-17(16)13(3,4)5/h8,15H,2,7,9-12H2,1,3-6H3
InChIKeyRHCIFTSZCGAJND-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide (CID 102107438) is 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide is C=CCC(C)(CCCCC)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide?
The InChIKey is RHCIFTSZCGAJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-7-9-10-12-14(6,11-8-2)15-17(16)13(3,4)5/h8,15H,2,7,9-12H2,1,3-6H3.
What are the key properties of 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide?
2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide has a molecular weight of 259.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylnon-1-en-4-yl)propane-2-sulfinamide is sourced from PubChem (CID 102107438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).