N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide

C19H28N2O2S2 — CID 143893288

IUPACN-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide
SMILESCCCS(=O)N(C)c1ccccc1.CCS(=O)NC1=CCC=CC=C1
InChIInChI=1S/C10H15NOS.C9H13NOS/c1-3-9-13(12)11(2)10-7-5-4-6-8-10;1-2-12(11)10-9-7-5-3-4-6-8-9/h4-8H,3,9H2,1-2H3;3-5,7-8,10H,2,6H2,1H3
InChIKeyMMMWKNMQXRYEGF-UHFFFAOYSA-N
MW380.58 g/mol
LogP3.86
Rot. Bonds7

About N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide

N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide (PubChem CID 143893288) has the molecular formula C19H28N2O2S2 and a molecular weight of 380.58 g/mol. Its IUPAC name is N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide.

Molecular Properties

Compound NameN-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide
PubChem CID143893288
Molecular FormulaC19H28N2O2S2
Molecular Weight380.58 g/mol
Exact Mass380.16
IUPAC NameN-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide
SMILESCCCS(=O)N(C)c1ccccc1.CCS(=O)NC1=CCC=CC=C1
InChIInChI=1S/C10H15NOS.C9H13NOS/c1-3-9-13(12)11(2)10-7-5-4-6-8-10;1-2-12(11)10-9-7-5-3-4-6-8-9/h4-8H,3,9H2,1-2H3;3-5,7-8,10H,2,6H2,1H3
InChIKeyMMMWKNMQXRYEGF-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide?
The IUPAC name of N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide (CID 143893288) is N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide.
What is the SMILES notation for N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide?
The canonical SMILES for N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide is CCCS(=O)N(C)c1ccccc1.CCS(=O)NC1=CCC=CC=C1.
What is the InChIKey of N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide?
The InChIKey is MMMWKNMQXRYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.C9H13NOS/c1-3-9-13(12)11(2)10-7-5-4-6-8-10;1-2-12(11)10-9-7-5-3-4-6-8-9/h4-8H,3,9H2,1-2H3;3-5,7-8,10H,2,6H2,1H3.
What are the key properties of N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide?
N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide has a molecular weight of 380.58 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,4,6-trien-1-ylethanesulfinamide;N-methyl-N-phenylpropane-1-sulfinamide is sourced from PubChem (CID 143893288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).