(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol

C8H17NOS — CID 106932334

IUPAC(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
SMILESC[C@@H](O)CNCC1CCCS1
InChIInChI=1S/C8H17NOS/c1-7(10)5-9-6-8-3-2-4-11-8/h7-10H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyYWUFHJHMOIKYCX-GVHYBUMESA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds4

About (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol

(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol (PubChem CID 106932334) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
PubChem CID106932334
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
SMILESC[C@@H](O)CNCC1CCCS1
InChIInChI=1S/C8H17NOS/c1-7(10)5-9-6-8-3-2-4-11-8/h7-10H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyYWUFHJHMOIKYCX-GVHYBUMESA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
2-methyl-3-(thiolan-2-ylmethylamino)propanenitrile
CID 80585360
N'-hydroxy-2-methyl-3-(thiolan-2-ylmethylamino)propanimidamide
CID 80585506
ethyl 2-methyl-3-(thiolan-2-ylmethylamino)propanoate
CID 80585302
1-(4-methylpentoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80585436
1-pyrrolidin-1-yl-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584749
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593
2-amino-3-(thian-2-ylmethylamino)propanoic acid
CID 80612859
1-propan-2-yl-3-(thiolan-2-ylmethyl)thiourea
CID 115690698
2-(3-methylbutoxy)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585393
3-chloro-2-methyl-N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 106437912

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol (CID 106932334) is (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol is C[C@@H](O)CNCC1CCCS1.
What is the InChIKey of (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol?
The InChIKey is YWUFHJHMOIKYCX-GVHYBUMESA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(10)5-9-6-8-3-2-4-11-8/h7-10H,2-6H2,1H3/t7-,8?/m1/s1.
What are the key properties of (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol?
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(thiolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106932334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).