N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide

C15H28N4OS — CID 97311105

IUPACN'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\C[C@]1(N2CCOCC2)CCSC1)N1CCCCC1
InChIInChI=1S/C15H28N4OS/c16-14(18-5-2-1-3-6-18)17-12-15(4-11-21-13-15)19-7-9-20-10-8-19/h1-13H2,(H2,16,17)/t15-/m1/s1
InChIKeyNBWBAXGHRFPSND-OAHLLOKOSA-N
MW312.48 g/mol
LogP0.99
Rot. Bonds3

About N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide

N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide (PubChem CID 97311105) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide
PubChem CID97311105
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC NameN'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\C[C@]1(N2CCOCC2)CCSC1)N1CCCCC1
InChIInChI=1S/C15H28N4OS/c16-14(18-5-2-1-3-6-18)17-12-15(4-11-21-13-15)19-7-9-20-10-8-19/h1-13H2,(H2,16,17)/t15-/m1/s1
InChIKeyNBWBAXGHRFPSND-OAHLLOKOSA-N
XLogP0.99
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 50.99
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'}

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Related Compounds

N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120558150
1-(2-methylprop-2-enyl)-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111079669
(3-morpholin-4-ylthiolan-3-yl)methanamine;hydrochloride
CID 42948044
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
1-ethyl-3-(2-methylpropyl)-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine;hydroiodide
CID 111179588
1-butan-2-yl-3-ethyl-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 110943172
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
N-ethyl-2,2-dimethyl-N'-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109487747
1-butan-2-yl-3-ethyl-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine;hydroiodide
CID 110943171

Frequently Asked Questions

What is the IUPAC name of N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide (CID 97311105) is N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide is N/C(=N\C[C@]1(N2CCOCC2)CCSC1)N1CCCCC1.
What is the InChIKey of N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide?
The InChIKey is NBWBAXGHRFPSND-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28N4OS/c16-14(18-5-2-1-3-6-18)17-12-15(4-11-21-13-15)19-7-9-20-10-8-19/h1-13H2,(H2,16,17)/t15-/m1/s1.
What are the key properties of N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide?
N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide has a molecular weight of 312.48 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 97311105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).