N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide

C14H28N4O3S — CID 111145570

IUPACN',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)N1CCOCC1)N1CCCC(C)C1
InChIInChI=1S/C14H28N4O3S/c1-13-4-3-6-17(12-13)14(15-2)16-5-11-22(19,20)18-7-9-21-10-8-18/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyGFMSFKPYWCBGDN-UHFFFAOYSA-N
MW332.47 g/mol
LogP-0.04
Rot. Bonds4

About N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide

N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide (PubChem CID 111145570) has the molecular formula C14H28N4O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide
PubChem CID111145570
Molecular FormulaC14H28N4O3S
Molecular Weight332.47 g/mol
Exact Mass332.19
IUPAC NameN',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)N1CCOCC1)N1CCCC(C)C1
InChIInChI=1S/C14H28N4O3S/c1-13-4-3-6-17(12-13)14(15-2)16-5-11-22(19,20)18-7-9-21-10-8-18/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyGFMSFKPYWCBGDN-UHFFFAOYSA-N
XLogP-0.04
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 5-0.04
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

2-Methyl-1-(4-morpholin-4-ylbutyl)-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559782
1-Ethyl-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109394865
1-Ethyl-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 109394866
1-[1-(2-Methoxyethyl)piperidin-4-yl]-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109394867
1-[1-(2-Methoxyethyl)piperidin-4-yl]-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 109394868
N-ethyl-N'-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109395647
N-ethyl-N'-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide
CID 109395648
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109395649
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide
CID 109395650
1-Ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine
CID 109395746
2-Methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine
CID 109395748
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 109469003

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide (CID 111145570) is N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide is C/N=C(\NCCS(=O)(=O)N1CCOCC1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide?
The InChIKey is GFMSFKPYWCBGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3S/c1-13-4-3-6-17(12-13)14(15-2)16-5-11-22(19,20)18-7-9-21-10-8-18/h13H,3-12H2,1-2H3,(H,15,16).
What are the key properties of N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide?
N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide has a molecular weight of 332.47 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111145570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).