N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide

C16H33N3OS — CID 109452383

IUPACN'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CCS(=O)C(C)(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H33N3OS/c1-9-17-13(18-10-11-21(20)14(2,3)4)19-12-15(5,6)16(19,7)8/h9-12H2,1-8H3,(H,17,18)
InChIKeySHHWHPIMJIYJPX-UHFFFAOYSA-N
MW315.53 g/mol
LogP2.62
Rot. Bonds4

About N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide

N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide (PubChem CID 109452383) has the molecular formula C16H33N3OS and a molecular weight of 315.53 g/mol. Its IUPAC name is N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
PubChem CID109452383
Molecular FormulaC16H33N3OS
Molecular Weight315.53 g/mol
Exact Mass315.23
IUPAC NameN'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CCS(=O)C(C)(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H33N3OS/c1-9-17-13(18-10-11-21(20)14(2,3)4)19-12-15(5,6)16(19,7)8/h9-12H2,1-8H3,(H,17,18)
InChIKeySHHWHPIMJIYJPX-UHFFFAOYSA-N
XLogP2.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 109451794
CID 109451794
CID 109451795
CID 109451795
CID 109451802
CID 109451802
CID 109451803
CID 109451803
CID 109451850
CID 109451850
CID 109451851
CID 109451851
CID 109451980
CID 109451980
CID 109451981
CID 109451981
CID 109451982
CID 109451982
CID 109451983
CID 109451983
CID 109452044
CID 109452044
CID 109452045
CID 109452045

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The IUPAC name of N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide (CID 109452383) is N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide.
What is the SMILES notation for N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The canonical SMILES for N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide is CCN/C(=N\CCS(=O)C(C)(C)C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The InChIKey is SHHWHPIMJIYJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3OS/c1-9-17-13(18-10-11-21(20)14(2,3)4)19-12-15(5,6)16(19,7)8/h9-12H2,1-8H3,(H,17,18).
What are the key properties of N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide has a molecular weight of 315.53 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfinylethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide is sourced from PubChem (CID 109452383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).