N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide

C17H35IN4O2S2 — CID 109490206

IUPACN',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCS(=O)(=O)N2CCSCC2)C1.I
InChIInChI=1S/C17H34N4O2S2.HI/c1-4-6-17(2)7-5-9-20(15-17)16(18-3)19-8-14-25(22,23)21-10-12-24-13-11-21;/h4-15H2,1-3H3,(H,18,19);1H
InChIKeyYZGYNYQAINJSPN-UHFFFAOYSA-N
MW518.53 g/mol
LogP2.46
Rot. Bonds6

About N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide

N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109490206) has the molecular formula C17H35IN4O2S2 and a molecular weight of 518.53 g/mol. Its IUPAC name is N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID109490206
Molecular FormulaC17H35IN4O2S2
Molecular Weight518.53 g/mol
Exact Mass518.12
IUPAC NameN',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCS(=O)(=O)N2CCSCC2)C1.I
InChIInChI=1S/C17H34N4O2S2.HI/c1-4-6-17(2)7-5-9-20(15-17)16(18-3)19-8-14-25(22,23)21-10-12-24-13-11-21;/h4-15H2,1-3H3,(H,18,19);1H
InChIKeyYZGYNYQAINJSPN-UHFFFAOYSA-N
XLogP2.46
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.53
LogP ≤ 52.46
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
N-[2-(benzenesulfonyl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490656
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119155385
N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
CID 109451751
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]-N-propylacetamide
CID 109490288
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
N-butan-2-yl-3-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 109490182
N',3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490397
N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 109490604
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490254

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide (CID 109490206) is N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCCS(=O)(=O)N2CCSCC2)C1.I.
What is the InChIKey of N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YZGYNYQAINJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S2.HI/c1-4-6-17(2)7-5-9-20(15-17)16(18-3)19-8-14-25(22,23)21-10-12-24-13-11-21;/h4-15H2,1-3H3,(H,18,19);1H.
What are the key properties of N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide?
N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 518.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).