2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol

C10H21NO2S — CID 57023370

IUPAC2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol
SMILESCC(C)(O)N(C1CCCS1)C(C)(C)O
InChIInChI=1S/C10H21NO2S/c1-9(2,12)11(10(3,4)13)8-6-5-7-14-8/h8,12-13H,5-7H2,1-4H3
InChIKeyUVOBBDLGIHYRLW-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.60
Rot. Bonds3

About 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol

2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol (PubChem CID 57023370) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol
PubChem CID57023370
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol
SMILESCC(C)(O)N(C1CCCS1)C(C)(C)O
InChIInChI=1S/C10H21NO2S/c1-9(2,12)11(10(3,4)13)8-6-5-7-14-8/h8,12-13H,5-7H2,1-4H3
InChIKeyUVOBBDLGIHYRLW-UHFFFAOYSA-N
XLogP1.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethane;2-(1,3-thiazolidin-3-yl)propan-2-ol
CID 142000310
2-(1-Methyl-1-propyl-1,2-thiazolidin-2-yl)propan-2-ol
CID 170089110

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol (CID 57023370) is 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol is CC(C)(O)N(C1CCCS1)C(C)(C)O.
What is the InChIKey of 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol?
The InChIKey is UVOBBDLGIHYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2,12)11(10(3,4)13)8-6-5-7-14-8/h8,12-13H,5-7H2,1-4H3.
What are the key properties of 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol?
2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol has a molecular weight of 219.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropan-2-yl(thiolan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 57023370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).