N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide

C14H25N3S — CID 122097885

IUPACN'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide
SMILESC=CCC1(C/N=C(\N)N2CCSCC2)CCCC1
InChIInChI=1S/C14H25N3S/c1-2-5-14(6-3-4-7-14)12-16-13(15)17-8-10-18-11-9-17/h2H,1,3-12H2,(H2,15,16)
InChIKeyWYRITOKAEIYASH-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.49
Rot. Bonds4

About N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide

N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 122097885) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID122097885
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide
SMILESC=CCC1(C/N=C(\N)N2CCSCC2)CCCC1
InChIInChI=1S/C14H25N3S/c1-2-5-14(6-3-4-7-14)12-16-13(15)17-8-10-18-11-9-17/h2H,1,3-12H2,(H2,15,16)
InChIKeyWYRITOKAEIYASH-UHFFFAOYSA-N
XLogP2.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.49
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide
CID 119164146
N'-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]azetidine-1-carboximidamide
CID 122095314
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
1,1,3,3-tetramethyl-2-[(1-prop-2-enylcyclopentyl)methyl]guanidine
CID 122097884
N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75514153
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851

Frequently Asked Questions

What is the IUPAC name of N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide (CID 122097885) is N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide is C=CCC1(C/N=C(\N)N2CCSCC2)CCCC1.
What is the InChIKey of N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is WYRITOKAEIYASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-2-5-14(6-3-4-7-14)12-16-13(15)17-8-10-18-11-9-17/h2H,1,3-12H2,(H2,15,16).
What are the key properties of N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide?
N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 267.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 122097885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).