N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide

C17H26N4O2S2 — CID 111066755

IUPACN'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCSCC1
InChIInChI=1S/C17H26N4O2S2/c18-17(20-10-12-24-13-11-20)19-14-15-4-6-16(7-5-15)25(22,23)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H2,18,19)
InChIKeyNJSSUGCITSVCKR-UHFFFAOYSA-N
MW382.56 g/mol
LogP1.72
Rot. Bonds4

About N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide

N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 111066755) has the molecular formula C17H26N4O2S2 and a molecular weight of 382.56 g/mol. Its IUPAC name is N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID111066755
Molecular FormulaC17H26N4O2S2
Molecular Weight382.56 g/mol
Exact Mass382.15
IUPAC NameN'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCSCC1
InChIInChI=1S/C17H26N4O2S2/c18-17(20-10-12-24-13-11-20)19-14-15-4-6-16(7-5-15)25(22,23)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H2,18,19)
InChIKeyNJSSUGCITSVCKR-UHFFFAOYSA-N
XLogP1.72
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 51.72
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'-[[4-(methanesulfonamido)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 119118332
N'-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]morpholine-4-carboximidamide
CID 111059251
N'-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111080490
1-tert-butyl-2-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111066714
2-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111066708
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N-ethyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 110955668
N'-[[4-(diethylaminomethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111036128
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111063137
1-[4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067285
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011

Frequently Asked Questions

What is the IUPAC name of N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide (CID 111066755) is N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide is N/C(=N\Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCSCC1.
What is the InChIKey of N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is NJSSUGCITSVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S2/c18-17(20-10-12-24-13-11-20)19-14-15-4-6-16(7-5-15)25(22,23)21-8-2-1-3-9-21/h4-7H,1-3,8-14H2,(H2,18,19).
What are the key properties of N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide?
N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 382.56 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111066755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).