N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen

C15H24N2O3S2 — CID 143365354

IUPACN-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen
SMILESCC1Cc2cc(NS(=O)(=O)C3CCCC3)ccc2NC(=S)O1.[H][H].[H][H]
InChIInChI=1S/C15H20N2O3S2.2H2/c1-10-8-11-9-12(6-7-14(11)16-15(21)20-10)17-22(18,19)13-4-2-3-5-13;;/h6-7,9-10,13,17H,2-5,8H2,1H3,(H,16,21);2*1H
InChIKeyIZFJJJPRAKSIJY-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.52
Rot. Bonds3

About N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen

N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen (PubChem CID 143365354) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen
PubChem CID143365354
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen
SMILESCC1Cc2cc(NS(=O)(=O)C3CCCC3)ccc2NC(=S)O1.[H][H].[H][H]
InChIInChI=1S/C15H20N2O3S2.2H2/c1-10-8-11-9-12(6-7-14(11)16-15(21)20-10)17-22(18,19)13-4-2-3-5-13;;/h6-7,9-10,13,17H,2-5,8H2,1H3,(H,16,21);2*1H
InChIKeyIZFJJJPRAKSIJY-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen with MolForge

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Related Compounds

N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)-1H-pyrrole-2-sulfonamide
CID 11999792
N-(9-bromo-4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)thiophene-2-sulfonamide
CID 11999919
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396
N-(4,9-dimethyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)thiophene-2-sulfonamide
CID 11999918
N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
N-(4-methyl-8-piperidin-1-yl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)thiophene-2-sulfonamide
CID 143365455
N-(9-ethyl-4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)thiophene-2-sulfonamide
CID 11999921
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanesulfonamide
CID 40889552
N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide
CID 61065811
N-(3-ethynylphenyl)cyclopentanesulfonamide
CID 115606508
N-(8-methoxy-4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-6-yl)benzenesulfonamide
CID 11998238

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen?
The IUPAC name of N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen (CID 143365354) is N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen.
What is the SMILES notation for N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen?
The canonical SMILES for N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen is CC1Cc2cc(NS(=O)(=O)C3CCCC3)ccc2NC(=S)O1.[H][H].[H][H].
What is the InChIKey of N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen?
The InChIKey is IZFJJJPRAKSIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2.2H2/c1-10-8-11-9-12(6-7-14(11)16-15(21)20-10)17-22(18,19)13-4-2-3-5-13;;/h6-7,9-10,13,17H,2-5,8H2,1H3,(H,16,21);2*1H.
What are the key properties of N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen?
N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen has a molecular weight of 344.50 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-sulfanylidene-4,5-dihydro-1H-3,1-benzoxazepin-7-yl)cyclopentanesulfonamide;molecular hydrogen is sourced from PubChem (CID 143365354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).