1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide

C19H38IN5S — CID 119154337

IUPAC1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1CCSCC1)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C19H37N5S.HI/c1-20-19(21-9-12-23-13-15-25-16-14-23)22-17-7-10-24(11-8-17)18-5-3-2-4-6-18;/h17-18H,2-16H2,1H3,(H2,20,21,22);1H
InChIKeySKUHSWJYPMGAIA-UHFFFAOYSA-N
MW495.52 g/mol
LogP2.62
Rot. Bonds5

About 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide

1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 119154337) has the molecular formula C19H38IN5S and a molecular weight of 495.52 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID119154337
Molecular FormulaC19H38IN5S
Molecular Weight495.52 g/mol
Exact Mass495.19
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1CCSCC1)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C19H37N5S.HI/c1-20-19(21-9-12-23-13-15-25-16-14-23)22-17-7-10-24(11-8-17)18-5-3-2-4-6-18;/h17-18H,2-16H2,1H3,(H2,20,21,22);1H
InChIKeySKUHSWJYPMGAIA-UHFFFAOYSA-N
XLogP2.62
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
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-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153800
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 119150649
1-cyclohexyl-2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110957287
N-[2-[[N-(1-cyclohexylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111998479
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111919902
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111919699
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158534
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 119150073
N-cyclohexyl-3-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111919824
2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153906
1-cyclohexyl-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110957463

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide (CID 119154337) is 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide is C/N=C(\NCCN1CCSCC1)NC1CCN(C2CCCCC2)CC1.I.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is SKUHSWJYPMGAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5S.HI/c1-20-19(21-9-12-23-13-15-25-16-14-23)22-17-7-10-24(11-8-17)18-5-3-2-4-6-18;/h17-18H,2-16H2,1H3,(H2,20,21,22);1H.
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide?
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 495.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 119154337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).