N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide

C13H23N5O2S — CID 62157065

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cnc(NC)nc2)CC1
InChIInChI=1S/C13H23N5O2S/c1-3-18-6-4-11(5-7-18)8-17-21(19,20)12-9-15-13(14-2)16-10-12/h9-11,17H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyFZWBPNNREGEUTI-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.53
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide

N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62157065) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62157065
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cnc(NC)nc2)CC1
InChIInChI=1S/C13H23N5O2S/c1-3-18-6-4-11(5-7-18)8-17-21(19,20)12-9-15-13(14-2)16-10-12/h9-11,17H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyFZWBPNNREGEUTI-UHFFFAOYSA-N
XLogP0.53
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide (CID 62157065) is N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide is CCN1CCC(CNS(=O)(=O)c2cnc(NC)nc2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is FZWBPNNREGEUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-3-18-6-4-11(5-7-18)8-17-21(19,20)12-9-15-13(14-2)16-10-12/h9-11,17H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62157065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).