N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide

C15H27N5OS — CID 109489443

IUPACN',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCCc1nc(C(C)C)no1)N1CCSC(C)(C)C1
InChIInChI=1S/C15H27N5OS/c1-11(2)13-18-12(21-19-13)6-7-17-14(16-5)20-8-9-22-15(3,4)10-20/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyPPWIZOGAZMRHQX-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.14
Rot. Bonds4

About N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide

N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 109489443) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID109489443
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC NameN',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCCc1nc(C(C)C)no1)N1CCSC(C)(C)C1
InChIInChI=1S/C15H27N5OS/c1-11(2)13-18-12(21-19-13)6-7-17-14(16-5)20-8-9-22-15(3,4)10-20/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyPPWIZOGAZMRHQX-UHFFFAOYSA-N
XLogP2.14
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2-dimethyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]thiomorpholine-4-carboximidamide
CID 109488943
N',2,2-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487932
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489722
N'-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745251
N',2,2-trimethyl-N-(2-thiophen-2-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487510
N-[2-(5-bromofuran-2-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488125
N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109487457
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487566
N',2,2-trimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]thiomorpholine-4-carboximidamide
CID 109489401
N',2,2-trimethyl-N-(3-propan-2-yloxypropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487822
N-[2-(cyclopenten-1-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487730
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide (CID 109489443) is N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide is C/N=C(\NCCc1nc(C(C)C)no1)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is PPWIZOGAZMRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OS/c1-11(2)13-18-12(21-19-13)6-7-17-14(16-5)20-8-9-22-15(3,4)10-20/h11H,6-10H2,1-5H3,(H,16,17).
What are the key properties of N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 325.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109489443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).