7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine

C19H42N2O2S — CID 139445525

IUPAC7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine
SMILESCCCCCCCC(C)(CCCCCC)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C19H42N2O2S/c1-6-8-10-12-14-16-19(5,15-13-11-9-7-2)21-24(22,23)20-17-18(3)4/h18,20-21H,6-17H2,1-5H3
InChIKeyNNJCETAEMAHZBZ-UHFFFAOYSA-N
MW362.62 g/mol
LogP5.16
Rot. Bonds16

About 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine

7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine (PubChem CID 139445525) has the molecular formula C19H42N2O2S and a molecular weight of 362.62 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine
PubChem CID139445525
Molecular FormulaC19H42N2O2S
Molecular Weight362.62 g/mol
Exact Mass362.30
IUPAC Name7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine
SMILESCCCCCCCC(C)(CCCCCC)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C19H42N2O2S/c1-6-8-10-12-14-16-19(5,15-13-11-9-7-2)21-24(22,23)20-17-18(3)4/h18,20-21H,6-17H2,1-5H3
InChIKeyNNJCETAEMAHZBZ-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.62
LogP ≤ 55.16
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 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine?
The IUPAC name of 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine (CID 139445525) is 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine.
What is the SMILES notation for 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine?
The canonical SMILES for 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine is CCCCCCCC(C)(CCCCCC)NS(=O)(=O)NCC(C)C.
What is the InChIKey of 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine?
The InChIKey is NNJCETAEMAHZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O2S/c1-6-8-10-12-14-16-19(5,15-13-11-9-7-2)21-24(22,23)20-17-18(3)4/h18,20-21H,6-17H2,1-5H3.
What are the key properties of 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine?
7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine has a molecular weight of 362.62 g/mol, XLogP of 5.16, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpropylsulfamoyl)tetradecan-7-amine is sourced from PubChem (CID 139445525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).