1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide

C14H25N3O2S — CID 104874862

IUPAC1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESCC1(C)CN(C(=O)C2(C(N)=NO)CCCCC2)CCS1
InChIInChI=1S/C14H25N3O2S/c1-13(2)10-17(8-9-20-13)12(18)14(11(15)16-19)6-4-3-5-7-14/h19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyGTZPDMFHLRMDCF-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.04
Rot. Bonds2

About 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide

1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide (PubChem CID 104874862) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
PubChem CID104874862
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESCC1(C)CN(C(=O)C2(C(N)=NO)CCCCC2)CCS1
InChIInChI=1S/C14H25N3O2S/c1-13(2)10-17(8-9-20-13)12(18)14(11(15)16-19)6-4-3-5-7-14/h19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyGTZPDMFHLRMDCF-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.04
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550
(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115734565
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide
CID 104871302
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321114
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 112747224
1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77020584
1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921074
N'-hydroxy-1-(4-methyl-3-oxopiperazine-1-carbonyl)cycloheptane-1-carboximidamide
CID 77051988

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide (CID 104874862) is 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide is CC1(C)CN(C(=O)C2(C(N)=NO)CCCCC2)CCS1.
What is the InChIKey of 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The InChIKey is GTZPDMFHLRMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-13(2)10-17(8-9-20-13)12(18)14(11(15)16-19)6-4-3-5-7-14/h19H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide has a molecular weight of 299.44 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 104874862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).