N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C11H19N5O4S — CID 64511442

IUPACN-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H19N5O4S/c1-15(8-10-12-9-13-14-10)11(17)2-7-21(18,19)16-3-5-20-6-4-16/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyUKRQZOVUZFMNBE-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.18
Rot. Bonds6

About N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64511442) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64511442
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H19N5O4S/c1-15(8-10-12-9-13-14-10)11(17)2-7-21(18,19)16-3-5-20-6-4-16/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyUKRQZOVUZFMNBE-UHFFFAOYSA-N
XLogP-1.18
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64511442) is N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CN(Cc1ncn[nH]1)C(=O)CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is UKRQZOVUZFMNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-15(8-10-12-9-13-14-10)11(17)2-7-21(18,19)16-3-5-20-6-4-16/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 317.37 g/mol, XLogP of -1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64511442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).