N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C15H22N2O3S — CID 22550805

IUPACN-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCC1)OCCN2C
InChIInChI=1S/C15H22N2O3S/c1-11-9-13-14(20-8-7-17(13)2)10-15(11)21(18,19)16-12-5-3-4-6-12/h9-10,12,16H,3-8H2,1-2H3
InChIKeyWEZOPVMTXXOGKM-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.04
Rot. Bonds3

About N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 22550805) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID22550805
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCC1)OCCN2C
InChIInChI=1S/C15H22N2O3S/c1-11-9-13-14(20-8-7-17(13)2)10-15(11)21(18,19)16-12-5-3-4-6-12/h9-10,12,16H,3-8H2,1-2H3
InChIKeyWEZOPVMTXXOGKM-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 22550805) is N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NC1CCCC1)OCCN2C.
What is the InChIKey of N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is WEZOPVMTXXOGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-9-13-14(20-8-7-17(13)2)10-15(11)21(18,19)16-12-5-3-4-6-12/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22550805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).