N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

C16H34IN5S — CID 109489262

IUPACN',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C16H33N5S.HI/c1-14(20-8-6-19(5)7-9-20)12-18-15(17-4)21-10-11-22-16(2,3)13-21;/h14H,6-13H2,1-5H3,(H,17,18);1H
InChIKeyNPVNTIBTASVGKH-UHFFFAOYSA-N
MW455.45 g/mol
LogP1.64
Rot. Bonds3

About N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide

N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109489262) has the molecular formula C16H34IN5S and a molecular weight of 455.45 g/mol. Its IUPAC name is N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109489262
Molecular FormulaC16H34IN5S
Molecular Weight455.45 g/mol
Exact Mass455.16
IUPAC NameN',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCSC(C)(C)C1.I
InChIInChI=1S/C16H33N5S.HI/c1-14(20-8-6-19(5)7-9-20)12-18-15(17-4)21-10-11-22-16(2,3)13-21;/h14H,6-13H2,1-5H3,(H,17,18);1H
InChIKeyNPVNTIBTASVGKH-UHFFFAOYSA-N
XLogP1.64
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 51.64
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

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109487925
N',2,2-trimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109489077
N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489849
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
2-ethyl-N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486497
N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 109488612
N',2,2-trimethyl-N-(3-propan-2-yloxypropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487822
N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
CID 109487585
N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790
N',2,2-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489734
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109489262) is N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is C/N=C(\NCC(C)N1CCN(C)CC1)N1CCSC(C)(C)C1.I.
What is the InChIKey of N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is NPVNTIBTASVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5S.HI/c1-14(20-8-6-19(5)7-9-20)12-18-15(17-4)21-10-11-22-16(2,3)13-21;/h14H,6-13H2,1-5H3,(H,17,18);1H.
What are the key properties of N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 455.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109489262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).