3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide

C7H15N3O3S2 — CID 106096763

IUPAC3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)CC(N)=S
InChIInChI=1S/C7H15N3O3S2/c1-7(2,3-5(8)11)10-15(12,13)4-6(9)14/h10H,3-4H2,1-2H3,(H2,8,11)(H2,9,14)
InChIKeyYRAACEUHRVIUKK-UHFFFAOYSA-N
MW253.35 g/mol
LogP-1.15
Rot. Bonds6

About 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide

3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106096763) has the molecular formula C7H15N3O3S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide
PubChem CID106096763
Molecular FormulaC7H15N3O3S2
Molecular Weight253.35 g/mol
Exact Mass253.06
IUPAC Name3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)CC(N)=S
InChIInChI=1S/C7H15N3O3S2/c1-7(2,3-5(8)11)10-15(12,13)4-6(9)14/h10H,3-4H2,1-2H3,(H2,8,11)(H2,9,14)
InChIKeyYRAACEUHRVIUKK-UHFFFAOYSA-N
XLogP-1.15
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(1-Amino-1-sulfanylidenepropan-2-yl)sulfonylamino]-2-methylpropanamide
CID 65567087
2-[(2-Amino-2-sulfanylideneethyl)sulfonylamino]-2-methylpropanamide
CID 65567088
3-amino-3-methyl-N-methylsulfonylbutanamide
CID 103287686
3-amino-N-ethylsulfonyl-3-methylbutanamide
CID 103307102
3-amino-3-methyl-N-propylsulfonylbutanamide
CID 103307621
3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide
CID 103308114
3-amino-N-cyclopropylsulfonyl-3-methylbutanamide
CID 103308603
3-(Cyanomethylsulfonylamino)-3-methylbutanamide
CID 104600870
3-(Ethylsulfonylamino)-3-methylbutanamide
CID 104600879
3-Methyl-3-(propylsulfonylamino)butanamide
CID 104600895
3-(Methanesulfonamido)-3-methylbutanamide
CID 104600907
3-(2-Aminoethylsulfonylamino)-3-methylbutanamide
CID 106096173

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide (CID 106096763) is 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)CC(N)=S.
What is the InChIKey of 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is YRAACEUHRVIUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S2/c1-7(2,3-5(8)11)10-15(12,13)4-6(9)14/h10H,3-4H2,1-2H3,(H2,8,11)(H2,9,14).
What are the key properties of 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide?
3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 253.35 g/mol, XLogP of -1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106096763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).