N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene

C22H28N4O3S — CID 143951462

IUPACN-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene
SMILESNC1=Nc2ccc(NS(=O)(=O)N3CCCCC3)cc2CO1.c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N4O3S.C9H10/c14-13-15-12-5-4-11(8-10(12)9-20-13)16-21(18,19)17-6-2-1-3-7-17;1-2-5-9-7-3-6-8(9)4-1/h4-5,8,16H,1-3,6-7,9H2,(H2,14,15);1-2,4-5H,3,6-7H2
InChIKeyYYHFHVCNGISFLK-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.48
Rot. Bonds3

About N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene

N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene (PubChem CID 143951462) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene.

Molecular Properties

Compound NameN-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene
PubChem CID143951462
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene
SMILESNC1=Nc2ccc(NS(=O)(=O)N3CCCCC3)cc2CO1.c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N4O3S.C9H10/c14-13-15-12-5-4-11(8-10(12)9-20-13)16-21(18,19)17-6-2-1-3-7-17;1-2-5-9-7-3-6-8(9)4-1/h4-5,8,16H,1-3,6-7,9H2,(H2,14,15);1-2,4-5H,3,6-7H2
InChIKeyYYHFHVCNGISFLK-UHFFFAOYSA-N
XLogP3.48
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene?
The IUPAC name of N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene (CID 143951462) is N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene.
What is the SMILES notation for N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene?
The canonical SMILES for N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene is NC1=Nc2ccc(NS(=O)(=O)N3CCCCC3)cc2CO1.c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene?
The InChIKey is YYHFHVCNGISFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S.C9H10/c14-13-15-12-5-4-11(8-10(12)9-20-13)16-21(18,19)17-6-2-1-3-7-17;1-2-5-9-7-3-6-8(9)4-1/h4-5,8,16H,1-3,6-7,9H2,(H2,14,15);1-2,4-5H,3,6-7H2.
What are the key properties of N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene?
N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene has a molecular weight of 428.56 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene is sourced from PubChem (CID 143951462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).