N-(1-cyanocycloheptyl)morpholine-4-sulfonamide

C12H21N3O3S — CID 61123501

IUPACN-(1-cyanocycloheptyl)morpholine-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCOCC2)CCCCCC1
InChIInChI=1S/C12H21N3O3S/c13-11-12(5-3-1-2-4-6-12)14-19(16,17)15-7-9-18-10-8-15/h14H,1-10H2
InChIKeyIAPIKDUAIRAKMY-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.77
Rot. Bonds3

About N-(1-cyanocycloheptyl)morpholine-4-sulfonamide

N-(1-cyanocycloheptyl)morpholine-4-sulfonamide (PubChem CID 61123501) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)morpholine-4-sulfonamide
PubChem CID61123501
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(1-cyanocycloheptyl)morpholine-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCOCC2)CCCCCC1
InChIInChI=1S/C12H21N3O3S/c13-11-12(5-3-1-2-4-6-12)14-19(16,17)15-7-9-18-10-8-15/h14H,1-10H2
InChIKeyIAPIKDUAIRAKMY-UHFFFAOYSA-N
XLogP0.77
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)morpholine-4-sulfonamide (CID 61123501) is N-(1-cyanocycloheptyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)morpholine-4-sulfonamide is N#CC1(NS(=O)(=O)N2CCOCC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)morpholine-4-sulfonamide?
The InChIKey is IAPIKDUAIRAKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c13-11-12(5-3-1-2-4-6-12)14-19(16,17)15-7-9-18-10-8-15/h14H,1-10H2.
What are the key properties of N-(1-cyanocycloheptyl)morpholine-4-sulfonamide?
N-(1-cyanocycloheptyl)morpholine-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)morpholine-4-sulfonamide is sourced from PubChem (CID 61123501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).