S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane

C11H21N3S — CID 142353877

IUPACS-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane
SMILESCCC.Cc1cnc(CC(C)SN)nc1
InChIInChI=1S/C8H13N3S.C3H8/c1-6-4-10-8(11-5-6)3-7(2)12-9;1-3-2/h4-5,7H,3,9H2,1-2H3;3H2,1-2H3
InChIKeyAYMAHBQJNVFVHW-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.74
Rot. Bonds3

About S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane

S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane (PubChem CID 142353877) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane.

Molecular Properties

Compound NameS-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane
PubChem CID142353877
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameS-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane
SMILESCCC.Cc1cnc(CC(C)SN)nc1
InChIInChI=1S/C8H13N3S.C3H8/c1-6-4-10-8(11-5-6)3-7(2)12-9;1-3-2/h4-5,7H,3,9H2,1-2H3;3H2,1-2H3
InChIKeyAYMAHBQJNVFVHW-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane?
The IUPAC name of S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane (CID 142353877) is S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane.
What is the SMILES notation for S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane?
The canonical SMILES for S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane is CCC.Cc1cnc(CC(C)SN)nc1.
What is the InChIKey of S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane?
The InChIKey is AYMAHBQJNVFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.C3H8/c1-6-4-10-8(11-5-6)3-7(2)12-9;1-3-2/h4-5,7H,3,9H2,1-2H3;3H2,1-2H3.
What are the key properties of S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane?
S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane has a molecular weight of 227.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[1-(5-methylpyrimidin-2-yl)propan-2-yl]thiohydroxylamine;propane is sourced from PubChem (CID 142353877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).