N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide

C15H27N3S — CID 122096518

IUPACN'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\C[C@@H]1C[C@H]1C1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H27N3S/c16-15(18-6-8-19-9-7-18)17-11-13-10-14(13)12-4-2-1-3-5-12/h12-14H,1-11H2,(H2,16,17)/t13-,14-/m0/s1
InChIKeyUKHUHOJETUQUGL-KBPBESRZSA-N
MW281.47 g/mol
LogP2.57
Rot. Bonds3

About N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide

N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide (PubChem CID 122096518) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
PubChem CID122096518
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\C[C@@H]1C[C@H]1C1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H27N3S/c16-15(18-6-8-19-9-7-18)17-11-13-10-14(13)12-4-2-1-3-5-12/h12-14H,1-11H2,(H2,16,17)/t13-,14-/m0/s1
InChIKeyUKHUHOJETUQUGL-KBPBESRZSA-N
XLogP2.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 122125675
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807637
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
N'-[(2-cyclopropylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 122098985
N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120671818
2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine
CID 122096529
N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111056223
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111072540
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755

Frequently Asked Questions

What is the IUPAC name of N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide (CID 122096518) is N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide is N/C(=N\C[C@@H]1C[C@H]1C1CCCCC1)N1CCSCC1.
What is the InChIKey of N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide?
The InChIKey is UKHUHOJETUQUGL-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27N3S/c16-15(18-6-8-19-9-7-18)17-11-13-10-14(13)12-4-2-1-3-5-12/h12-14H,1-11H2,(H2,16,17)/t13-,14-/m0/s1.
What are the key properties of N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide?
N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide has a molecular weight of 281.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 122096518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).