1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol

C12H24N2OS — CID 80584749

IUPAC1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCS1)CN1CCCC1
InChIInChI=1S/C12H24N2OS/c15-11(10-14-5-1-2-6-14)8-13-9-12-4-3-7-16-12/h11-13,15H,1-10H2
InChIKeyXGPHQUFGAHYQST-UHFFFAOYSA-N
MW244.40 g/mol
LogP0.93
Rot. Bonds6

About 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol

1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol (PubChem CID 80584749) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol
PubChem CID80584749
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCS1)CN1CCCC1
InChIInChI=1S/C12H24N2OS/c15-11(10-14-5-1-2-6-14)8-13-9-12-4-3-7-16-12/h11-13,15H,1-10H2
InChIKeyXGPHQUFGAHYQST-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-3-(thian-2-ylmethylamino)propan-2-ol
CID 80600493
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
1-(4-methylpentoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80585436
1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 78945365
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916
1-morpholin-4-yl-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295723
2-methyl-3-(thiolan-2-ylmethylamino)propanenitrile
CID 80585360
1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 106221253
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol (CID 80584749) is 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol is OC(CNCC1CCCS1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol?
The InChIKey is XGPHQUFGAHYQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c15-11(10-14-5-1-2-6-14)8-13-9-12-4-3-7-16-12/h11-13,15H,1-10H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol?
1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol has a molecular weight of 244.40 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 80584749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).