[3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol

C9H17NOS — CID 79950654

IUPAC[3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol
SMILESCC1CC(CO)(NC2CC2)CS1
InChIInChI=1S/C9H17NOS/c1-7-4-9(5-11,6-12-7)10-8-2-3-8/h7-8,10-11H,2-6H2,1H3
InChIKeyUBZFCGNWPZPODJ-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.99
Rot. Bonds3

About [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol

[3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol (PubChem CID 79950654) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol
PubChem CID79950654
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name[3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol
SMILESCC1CC(CO)(NC2CC2)CS1
InChIInChI=1S/C9H17NOS/c1-7-4-9(5-11,6-12-7)10-8-2-3-8/h7-8,10-11H,2-6H2,1H3
InChIKeyUBZFCGNWPZPODJ-UHFFFAOYSA-N
XLogP0.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methoxyethylamino)-5-methylthiolan-3-yl]methanol
CID 79950775
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol
CID 79950058
[1-(cyclopropylamino)-3-methoxycyclopentyl]methanol
CID 79647805
3-(cyclopropylamino)-3-(hydroxymethyl)cyclopentan-1-ol
CID 164644074
[1-(cyclopropylamino)-3,3-dimethylcyclopentyl]methanol
CID 80699830
[1-(cyclohexylamino)-3,4-dimethylcyclohexyl]methanol
CID 64745681
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
[1-(cyclopropylamino)-3-(2-methylpropoxy)cyclopentyl]methanol
CID 79647999
[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79634714
[3-(cycloheptylamino)thiolan-3-yl]methanol
CID 61055550

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol?
The IUPAC name of [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol (CID 79950654) is [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol is CC1CC(CO)(NC2CC2)CS1.
What is the InChIKey of [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol?
The InChIKey is UBZFCGNWPZPODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7-4-9(5-11,6-12-7)10-8-2-3-8/h7-8,10-11H,2-6H2,1H3.
What are the key properties of [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol?
[3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol has a molecular weight of 187.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylamino)-5-methylthiolan-3-yl]methanol is sourced from PubChem (CID 79950654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).