N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide

C15H30N4O2S2 — CID 109451751

IUPACN',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H30N4O2S2/c1-14(2)12-19(15(14,3)4)13(16-5)17-6-11-23(20,21)18-7-9-22-10-8-18/h6-12H2,1-5H3,(H,16,17)
InChIKeySISLOLUUDCJDTK-UHFFFAOYSA-N
MW362.57 g/mol
LogP1.06
Rot. Bonds4

About N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide (PubChem CID 109451751) has the molecular formula C15H30N4O2S2 and a molecular weight of 362.57 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
PubChem CID109451751
Molecular FormulaC15H30N4O2S2
Molecular Weight362.57 g/mol
Exact Mass362.18
IUPAC NameN',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H30N4O2S2/c1-14(2)12-19(15(14,3)4)13(16-5)17-6-11-23(20,21)18-7-9-22-10-8-18/h6-12H2,1-5H3,(H,16,17)
InChIKeySISLOLUUDCJDTK-UHFFFAOYSA-N
XLogP1.06
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119155385
N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490206
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109454257
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833647
N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451835
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-thiomorpholin-4-ylsulfonylethyl)piperazine-1-carboximidamide;hydroiodide
CID 109432582
tert-butyl N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 109453890
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366
1-(cyclobutylmethyl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155535
N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350
N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453863
2-methyl-1-(2-thiomorpholin-4-ylsulfonylethyl)-3-(thiophen-2-ylmethyl)guanidine
CID 111833359

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide (CID 109451751) is N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide is C/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide?
The InChIKey is SISLOLUUDCJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2S2/c1-14(2)12-19(15(14,3)4)13(16-5)17-6-11-23(20,21)18-7-9-22-10-8-18/h6-12H2,1-5H3,(H,16,17).
What are the key properties of N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide has a molecular weight of 362.57 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109451751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).