N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide

C14H25N3O2S — CID 104871302

IUPACN'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCCCCC2)CCS1
InChIInChI=1S/C14H25N3O2S/c1-11-10-17(8-9-20-11)13(18)14(12(15)16-19)6-4-2-3-5-7-14/h11,19H,2-10H2,1H3,(H2,15,16)
InChIKeyXQYVPUGVIFFLRX-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.04
Rot. Bonds2

About N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide

N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide (PubChem CID 104871302) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide
PubChem CID104871302
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCCCCC2)CCS1
InChIInChI=1S/C14H25N3O2S/c1-11-10-17(8-9-20-11)13(18)14(12(15)16-19)6-4-2-3-5-7-14/h11,19H,2-10H2,1H3,(H2,15,16)
InChIKeyXQYVPUGVIFFLRX-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'}

Analyze N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77020584
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 104874862
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide
CID 80590837
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide (CID 104871302) is N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide is CC1CN(C(=O)C2(C(N)=NO)CCCCCC2)CCS1.
What is the InChIKey of N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide?
The InChIKey is XQYVPUGVIFFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-10-17(8-9-20-11)13(18)14(12(15)16-19)6-4-2-3-5-7-14/h11,19H,2-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide?
N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-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 N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide is sourced from PubChem (CID 104871302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).