N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide

C17H25N5O3S — CID 42936545

IUPACN,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)CC(C)O1
InChIInChI=1S/C17H25N5O3S/c1-13-9-21(10-14(2)25-13)26(23,24)20(4)15(3)16-5-7-17(8-6-16)22-12-18-11-19-22/h5-8,11-15H,9-10H2,1-4H3
InChIKeyRIHPGXJKBNESCN-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.61
Rot. Bonds5

About N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide

N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide (PubChem CID 42936545) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
PubChem CID42936545
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)CC(C)O1
InChIInChI=1S/C17H25N5O3S/c1-13-9-21(10-14(2)25-13)26(23,24)20(4)15(3)16-5-7-17(8-6-16)22-12-18-11-19-22/h5-8,11-15H,9-10H2,1-4H3
InChIKeyRIHPGXJKBNESCN-UHFFFAOYSA-N
XLogP1.61
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
The IUPAC name of N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide (CID 42936545) is N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)CC(C)O1.
What is the InChIKey of N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
The InChIKey is RIHPGXJKBNESCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-13-9-21(10-14(2)25-13)26(23,24)20(4)15(3)16-5-7-17(8-6-16)22-12-18-11-19-22/h5-8,11-15H,9-10H2,1-4H3.
What are the key properties of N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 42936545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).