N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide

C16H32N4OS — CID 109488051

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(\NCC1(N(C)C)CCOCC1)N1CCSC(C)(C)C1
InChIInChI=1S/C16H32N4OS/c1-15(2)13-20(8-11-22-15)14(17-3)18-12-16(19(4)5)6-9-21-10-7-16/h6-13H2,1-5H3,(H,17,18)
InChIKeyUTQQTIZIRFHNGR-UHFFFAOYSA-N
MW328.53 g/mol
LogP1.50
Rot. Bonds3

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (PubChem CID 109488051) has the molecular formula C16H32N4OS and a molecular weight of 328.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
PubChem CID109488051
Molecular FormulaC16H32N4OS
Molecular Weight328.53 g/mol
Exact Mass328.23
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESC/N=C(\NCC1(N(C)C)CCOCC1)N1CCSC(C)(C)C1
InChIInChI=1S/C16H32N4OS/c1-15(2)13-20(8-11-22-15)14(17-3)18-12-16(19(4)5)6-9-21-10-7-16/h6-13H2,1-5H3,(H,17,18)
InChIKeyUTQQTIZIRFHNGR-UHFFFAOYSA-N
XLogP1.50
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 51.50
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',2,2-trimethyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109488100
N',2,2-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489734
N',2,2-trimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109489077
N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489849
N',2,2-trimethyl-N-(4-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487393
N-[7-(dimethylamino)heptyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489551
N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 109488612
N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
CID 109487585
N',2,2-trimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489652
N',2,2-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489888
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488134
N',2,2-trimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]thiomorpholine-4-carboximidamide
CID 109489401

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (CID 109488051) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide is C/N=C(\NCC1(N(C)C)CCOCC1)N1CCSC(C)(C)C1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The InChIKey is UTQQTIZIRFHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4OS/c1-15(2)13-20(8-11-22-15)14(17-3)18-12-16(19(4)5)6-9-21-10-7-16/h6-13H2,1-5H3,(H,17,18).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide has a molecular weight of 328.53 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109488051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).