N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide

C11H23N3O2S2 — CID 111812180

IUPACN'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
SMILESCC(C)(C)S(=O)(=O)CC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H23N3O2S2/c1-11(2,3)18(15,16)9-4-13-10(12)14-5-7-17-8-6-14/h4-9H2,1-3H3,(H2,12,13)
InChIKeyBCHFZHHKNUUXFX-UHFFFAOYSA-N
MW293.46 g/mol
LogP0.56
Rot. Bonds3

About N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide

N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide (PubChem CID 111812180) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
PubChem CID111812180
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC NameN'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
SMILESCC(C)(C)S(=O)(=O)CC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H23N3O2S2/c1-11(2,3)18(15,16)9-4-13-10(12)14-5-7-17-8-6-14/h4-9H2,1-3H3,(H2,12,13)
InChIKeyBCHFZHHKNUUXFX-UHFFFAOYSA-N
XLogP0.56
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 50.56
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-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide
CID 119164683
N'-(2-tert-butylsulfonylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111812137
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'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
tert-butyl 2-[[amino(thiomorpholin-4-yl)methylidene]amino]acetate
CID 111801462
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110033020
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate
CID 109377923
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 75493964

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide (CID 111812180) is N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide is CC(C)(C)S(=O)(=O)CC/N=C(\N)N1CCSCC1.
What is the InChIKey of N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide?
The InChIKey is BCHFZHHKNUUXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-11(2,3)18(15,16)9-4-13-10(12)14-5-7-17-8-6-14/h4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide?
N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide has a molecular weight of 293.46 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111812180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).