3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol

C9H19NOS — CID 117237604

IUPAC3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
SMILESCN(C)CC(CO)C1CCSC1
InChIInChI=1S/C9H19NOS/c1-10(2)5-9(6-11)8-3-4-12-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyHYHYOMQLHNTWFX-UHFFFAOYSA-N
MW189.32 g/mol
LogP0.91
Rot. Bonds4

About 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol

3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol (PubChem CID 117237604) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
PubChem CID117237604
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
SMILESCN(C)CC(CO)C1CCSC1
InChIInChI=1S/C9H19NOS/c1-10(2)5-9(6-11)8-3-4-12-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyHYHYOMQLHNTWFX-UHFFFAOYSA-N
XLogP0.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(thiolan-3-yl)propan-1-ol
CID 117238022
3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid
CID 117238110
3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol
CID 117237716
2-(thiolan-3-yl)butan-1-amine
CID 82596112
4-amino-2-(thian-3-yl)butan-1-ol
CID 115017955
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate
CID 117238513
3-(1-chloro-4-methylpentan-2-yl)thiolane
CID 165443604
3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol
CID 131162508
1-(thian-4-yl)ethane-1,2-diol
CID 117238988
4-amino-2-(thian-4-yl)butan-1-ol
CID 115017956
4-fluoro-3-(thiolan-3-yl)butan-1-amine
CID 115015001
3-(1-bromopropan-2-yl)thiolane
CID 165442425

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol (CID 117237604) is 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol is CN(C)CC(CO)C1CCSC1.
What is the InChIKey of 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol?
The InChIKey is HYHYOMQLHNTWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-10(2)5-9(6-11)8-3-4-12-7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol?
3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol is sourced from PubChem (CID 117237604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).