N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide

C18H21N3S — CID 120666030

IUPACN'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\[C@@H]1C[C@H]1c1cccc2ccccc12)N1CCSCC1
InChIInChI=1S/C18H21N3S/c19-18(21-8-10-22-11-9-21)20-17-12-16(17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16-17H,8-12H2,(H2,19,20)/t16-,17+/m0/s1
InChIKeyIKPIWWBAQOAHAC-DLBZAZTESA-N
MW311.45 g/mol
LogP3.06
Rot. Bonds2

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

N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide (PubChem CID 120666030) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide
PubChem CID120666030
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\[C@@H]1C[C@H]1c1cccc2ccccc12)N1CCSCC1
InChIInChI=1S/C18H21N3S/c19-18(21-8-10-22-11-9-21)20-17-12-16(17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16-17H,8-12H2,(H2,19,20)/t16-,17+/m0/s1
InChIKeyIKPIWWBAQOAHAC-DLBZAZTESA-N
XLogP3.06
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.06
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'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
CID 111101079
N'-[(1S,2R)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]thiomorpholine-4-carboximidamide
CID 120671512
N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120606097
N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017
N'-(2,3-dihydro-1-benzofuran-3-yl)thiomorpholine-4-carboximidamide
CID 86792138
N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
CID 111074015
4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 111101089
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
N'-(2,3-dihydro-1-benzothiophen-3-ylmethyl)thiomorpholine-4-carboximidamide
CID 122096825
N'-(1-benzofuran-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 111071397
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide (CID 120666030) is N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide is N/C(=N\[C@@H]1C[C@H]1c1cccc2ccccc12)N1CCSCC1.
What is the InChIKey of N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide?
The InChIKey is IKPIWWBAQOAHAC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H21N3S/c19-18(21-8-10-22-11-9-21)20-17-12-16(17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16-17H,8-12H2,(H2,19,20)/t16-,17+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide?
N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide has a molecular weight of 311.45 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 120666030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).