N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide

C11H21N3O2S2 — CID 119164683

IUPACN'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)CC1CC1)N1CCSCC1
InChIInChI=1S/C11H21N3O2S2/c12-11(14-4-6-17-7-5-14)13-3-8-18(15,16)9-10-1-2-10/h10H,1-9H2,(H2,12,13)
InChIKeyCHBJGNWUUDVNMS-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.17
Rot. Bonds5

About N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 119164683) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID119164683
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)CC1CC1)N1CCSCC1
InChIInChI=1S/C11H21N3O2S2/c12-11(14-4-6-17-7-5-14)13-3-8-18(15,16)9-10-1-2-10/h10H,1-9H2,(H2,12,13)
InChIKeyCHBJGNWUUDVNMS-UHFFFAOYSA-N
XLogP0.17
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 50.17
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'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
CID 111812180
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 86786541
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 86786540
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[2-(4-bromophenyl)sulfonylethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807903
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
CID 111100374
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide (CID 119164683) is N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide is N/C(=N\CCS(=O)(=O)CC1CC1)N1CCSCC1.
What is the InChIKey of N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is CHBJGNWUUDVNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c12-11(14-4-6-17-7-5-14)13-3-8-18(15,16)9-10-1-2-10/h10H,1-9H2,(H2,12,13).
What are the key properties of N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 291.44 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119164683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).