3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol

C9H19NOS — CID 131162508

IUPAC3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol
SMILESCC(C)(CO)C(N)C1CCSC1
InChIInChI=1S/C9H19NOS/c1-9(2,6-11)8(10)7-3-4-12-5-7/h7-8,11H,3-6,10H2,1-2H3
InChIKeyUJYODJURZQTBQM-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.09
Rot. Bonds3

About 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol

3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol (PubChem CID 131162508) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol
PubChem CID131162508
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol
SMILESCC(C)(CO)C(N)C1CCSC1
InChIInChI=1S/C9H19NOS/c1-9(2,6-11)8(10)7-3-4-12-5-7/h7-8,11H,3-6,10H2,1-2H3
InChIKeyUJYODJURZQTBQM-UHFFFAOYSA-N
XLogP1.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
2-cyclopropyl-1-(thiolan-3-yl)ethanamine
CID 105152914
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate
CID 117238513
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105154564
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
2-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 107893917
3-methoxy-2-(thiolan-3-yl)propan-1-ol
CID 117238022
3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
CID 117237604
[1-(aminomethyl)-4-tert-butylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133817

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol (CID 131162508) is 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol is CC(C)(CO)C(N)C1CCSC1.
What is the InChIKey of 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol?
The InChIKey is UJYODJURZQTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,6-11)8(10)7-3-4-12-5-7/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol?
3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol is sourced from PubChem (CID 131162508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).