N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide

C10H19N5O3S — CID 64517457

IUPACN,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC(C)O1
InChIInChI=1S/C10H19N5O3S/c1-8-4-15(5-9(2)18-8)19(16,17)14(3)6-10-11-7-12-13-10/h7-9H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyMLTHHGSWVMUQDR-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.41
Rot. Bonds4

About N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide

N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide (PubChem CID 64517457) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
PubChem CID64517457
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC NameN,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC(C)O1
InChIInChI=1S/C10H19N5O3S/c1-8-4-15(5-9(2)18-8)19(16,17)14(3)6-10-11-7-12-13-10/h7-9H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyMLTHHGSWVMUQDR-UHFFFAOYSA-N
XLogP-0.41
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide?
The IUPAC name of N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide (CID 64517457) is N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide?
The canonical SMILES for N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC(C)O1.
What is the InChIKey of N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide?
The InChIKey is MLTHHGSWVMUQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-8-4-15(5-9(2)18-8)19(16,17)14(3)6-10-11-7-12-13-10/h7-9H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide?
N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 64517457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).