N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide

C14H24N4O2S — CID 62148028

IUPACN-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)C2CCCC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-9-15-14-16-10-13(11-17-14)21(19,20)18(4-2)12-7-5-6-8-12/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWGUXACPIQBAINE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.25
Rot. Bonds7

About N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide

N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62148028) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62148028
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CC)C2CCCC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-9-15-14-16-10-13(11-17-14)21(19,20)18(4-2)12-7-5-6-8-12/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWGUXACPIQBAINE-UHFFFAOYSA-N
XLogP2.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide (CID 62148028) is N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(CC)C2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is WGUXACPIQBAINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-9-15-14-16-10-13(11-17-14)21(19,20)18(4-2)12-7-5-6-8-12/h10-12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide?
N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62148028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).