1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine

C11H21N5O3S — CID 111824522

IUPAC1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine
SMILESCN(C)C(=NCCNS(=O)(=O)Cc1ccon1)N(C)C
InChIInChI=1S/C11H21N5O3S/c1-15(2)11(16(3)4)12-6-7-13-20(17,18)9-10-5-8-19-14-10/h5,8,13H,6-7,9H2,1-4H3
InChIKeyRFLGRXACBNKUSI-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.43
Rot. Bonds6

About 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine

1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine (PubChem CID 111824522) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine
PubChem CID111824522
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine
SMILESCN(C)C(=NCCNS(=O)(=O)Cc1ccon1)N(C)C
InChIInChI=1S/C11H21N5O3S/c1-15(2)11(16(3)4)12-6-7-13-20(17,18)9-10-5-8-19-14-10/h5,8,13H,6-7,9H2,1-4H3
InChIKeyRFLGRXACBNKUSI-UHFFFAOYSA-N
XLogP-0.43
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine (CID 111824522) is 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine is CN(C)C(=NCCNS(=O)(=O)Cc1ccon1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine?
The InChIKey is RFLGRXACBNKUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-15(2)11(16(3)4)12-6-7-13-20(17,18)9-10-5-8-19-14-10/h5,8,13H,6-7,9H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine?
1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine has a molecular weight of 303.39 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine is sourced from PubChem (CID 111824522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).