N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C17H32IN5OS — CID 111806077

IUPACN'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCN1CCN(C(=O)C2CCCC2)CC1)N1CCSCC1
InChIInChI=1S/C17H31N5OS.HI/c18-17(22-11-13-24-14-12-22)19-5-6-20-7-9-21(10-8-20)16(23)15-3-1-2-4-15;/h15H,1-14H2,(H2,18,19);1H
InChIKeyMOMQLKCHSRPCNH-UHFFFAOYSA-N
MW481.45 g/mol
LogP1.30
Rot. Bonds4

About N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111806077) has the molecular formula C17H32IN5OS and a molecular weight of 481.45 g/mol. Its IUPAC name is N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111806077
Molecular FormulaC17H32IN5OS
Molecular Weight481.45 g/mol
Exact Mass481.14
IUPAC NameN'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCN1CCN(C(=O)C2CCCC2)CC1)N1CCSCC1
InChIInChI=1S/C17H31N5OS.HI/c18-17(22-11-13-24-14-12-22)19-5-6-20-7-9-21(10-8-20)16(23)15-3-1-2-4-15;/h15H,1-14H2,(H2,18,19);1H
InChIKeyMOMQLKCHSRPCNH-UHFFFAOYSA-N
XLogP1.30
TPSA65.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 51.30
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

1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661640
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091687
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111806077) is N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCN1CCN(C(=O)C2CCCC2)CC1)N1CCSCC1.
What is the InChIKey of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is MOMQLKCHSRPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5OS.HI/c18-17(22-11-13-24-14-12-22)19-5-6-20-7-9-21(10-8-20)16(23)15-3-1-2-4-15;/h15H,1-14H2,(H2,18,19);1H.
What are the key properties of N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 481.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111806077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).