N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide

C7H15N5O2S2 — CID 83035120

IUPACN-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C7H15N5O2S2/c1-16(13,14)5-4-15-3-2-12(5)7(10)11-6(8)9/h5H,2-4H2,1H3,(H5,8,9,10,11)
InChIKeyGONAHPBIDLXJAC-UHFFFAOYSA-N
MW265.36 g/mol
LogP-1.39
Rot. Bonds1

About N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide

N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide (PubChem CID 83035120) has the molecular formula C7H15N5O2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide
PubChem CID83035120
Molecular FormulaC7H15N5O2S2
Molecular Weight265.36 g/mol
Exact Mass265.07
IUPAC NameN-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C7H15N5O2S2/c1-16(13,14)5-4-15-3-2-12(5)7(10)11-6(8)9/h5H,2-4H2,1H3,(H5,8,9,10,11)
InChIKeyGONAHPBIDLXJAC-UHFFFAOYSA-N
XLogP-1.39
TPSA125.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide (CID 83035120) is N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide is [H]/N=C(\N=C(N)N)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide?
The InChIKey is GONAHPBIDLXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S2/c1-16(13,14)5-4-15-3-2-12(5)7(10)11-6(8)9/h5H,2-4H2,1H3,(H5,8,9,10,11).
What are the key properties of N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide?
N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of -1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-methylsulfonylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 83035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).