N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C13H21N3O4S — CID 7196415

IUPACN-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4S/c1-15-9-11(12(17)16(2)13(15)18)21(19,20)14-10-7-5-3-4-6-8-10/h9-10,14H,3-8H2,1-2H3
InChIKeyCXEXWNCYBZKDPS-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.09
Rot. Bonds3

About N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7196415) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7196415
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC NameN-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4S/c1-15-9-11(12(17)16(2)13(15)18)21(19,20)14-10-7-5-3-4-6-8-10/h9-10,14H,3-8H2,1-2H3
InChIKeyCXEXWNCYBZKDPS-UHFFFAOYSA-N
XLogP0.09
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7196415) is N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is CXEXWNCYBZKDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15-9-11(12(17)16(2)13(15)18)21(19,20)14-10-7-5-3-4-6-8-10/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).