(5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine

C15H26N2O2S — CID 114985134

IUPAC(5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine
SMILESCCC(C)C(c1ccccc1)C(CCS(C)(=O)=O)NN
InChIInChI=1S/C15H26N2O2S/c1-4-12(2)15(13-8-6-5-7-9-13)14(17-16)10-11-20(3,18)19/h5-9,12,14-15,17H,4,10-11,16H2,1-3H3
InChIKeyQDUHCNODJXQPQB-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.08
Rot. Bonds8

About (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine

(5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine (PubChem CID 114985134) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine.

Molecular Properties

Compound Name(5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine
PubChem CID114985134
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name(5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine
SMILESCCC(C)C(c1ccccc1)C(CCS(C)(=O)=O)NN
InChIInChI=1S/C15H26N2O2S/c1-4-12(2)15(13-8-6-5-7-9-13)14(17-16)10-11-20(3,18)19/h5-9,12,14-15,17H,4,10-11,16H2,1-3H3
InChIKeyQDUHCNODJXQPQB-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine?
The IUPAC name of (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine (CID 114985134) is (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine.
What is the SMILES notation for (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine?
The canonical SMILES for (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine is CCC(C)C(c1ccccc1)C(CCS(C)(=O)=O)NN.
What is the InChIKey of (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine?
The InChIKey is QDUHCNODJXQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-12(2)15(13-8-6-5-7-9-13)14(17-16)10-11-20(3,18)19/h5-9,12,14-15,17H,4,10-11,16H2,1-3H3.
What are the key properties of (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine?
(5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine has a molecular weight of 298.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-methylsulfonyl-4-phenylheptan-3-yl)hydrazine is sourced from PubChem (CID 114985134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).