N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide

C19H32N6S — CID 109488207

IUPACN',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCc1cccnc1N1CCN(C)CC1)N1CCSC(C)(C)C1
InChIInChI=1S/C19H32N6S/c1-19(2)15-25(12-13-26-19)18(20-3)22-14-16-6-5-7-21-17(16)24-10-8-23(4)9-11-24/h5-7H,8-15H2,1-4H3,(H,20,22)
InChIKeyHTPGZXWOEWOBIT-UHFFFAOYSA-N
MW376.57 g/mol
LogP1.74
Rot. Bonds3

About N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide

N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 109488207) has the molecular formula C19H32N6S and a molecular weight of 376.57 g/mol. Its IUPAC name is N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
PubChem CID109488207
Molecular FormulaC19H32N6S
Molecular Weight376.57 g/mol
Exact Mass376.24
IUPAC NameN',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(\NCc1cccnc1N1CCN(C)CC1)N1CCSC(C)(C)C1
InChIInChI=1S/C19H32N6S/c1-19(2)15-25(12-13-26-19)18(20-3)22-14-16-6-5-7-21-17(16)24-10-8-23(4)9-11-24/h5-7H,8-15H2,1-4H3,(H,20,22)
InChIKeyHTPGZXWOEWOBIT-UHFFFAOYSA-N
XLogP1.74
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 109488885
N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743846
N-benzyl-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488258
N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144466
N',2,2-trimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489786
N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109488997
N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377155
N',2,2-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489888
4-(3-methoxyphenyl)-N'-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111291180
N',2,2-trimethyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489910
N',2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487359
N',2,2-trimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 109487913

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide (CID 109488207) is N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide is C/N=C(\NCc1cccnc1N1CCN(C)CC1)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is HTPGZXWOEWOBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6S/c1-19(2)15-25(12-13-26-19)18(20-3)22-14-16-6-5-7-21-17(16)24-10-8-23(4)9-11-24/h5-7H,8-15H2,1-4H3,(H,20,22).
What are the key properties of N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 376.57 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109488207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).