N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide

C10H17N5O3S — CID 119099627

IUPACN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide
SMILESCOc1nc(CNS(C)(=O)=O)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O3S/c1-18-10-13-8(7-11-19(2,16)17)12-9(14-10)15-5-3-4-6-15/h11H,3-7H2,1-2H3
InChIKeyZGNGRPUHYCVWKC-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.47
Rot. Bonds5

About N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide

N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide (PubChem CID 119099627) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide
PubChem CID119099627
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide
SMILESCOc1nc(CNS(C)(=O)=O)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O3S/c1-18-10-13-8(7-11-19(2,16)17)12-9(14-10)15-5-3-4-6-15/h11H,3-7H2,1-2H3
InChIKeyZGNGRPUHYCVWKC-UHFFFAOYSA-N
XLogP-0.47
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide
CID 122253482
3,3,3-trifluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide
CID 122253361
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide
CID 122252753
2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253379
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253471
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253191
5-fluoro-2-methoxy-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253326
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide
CID 122253254
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122253370
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 122253435

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide (CID 119099627) is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide is COc1nc(CNS(C)(=O)=O)nc(N2CCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
The InChIKey is ZGNGRPUHYCVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-18-10-13-8(7-11-19(2,16)17)12-9(14-10)15-5-3-4-6-15/h11H,3-7H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide?
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide has a molecular weight of 287.35 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 119099627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).