1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine

C11H21NOS — CID 107166673

IUPAC1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
SMILESCOCC(NCC1CCSC1)C1CC1
InChIInChI=1S/C11H21NOS/c1-13-7-11(10-2-3-10)12-6-9-4-5-14-8-9/h9-12H,2-8H2,1H3
InChIKeyWZQLPWOIYSQFHP-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.75
Rot. Bonds6

About 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine

1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107166673) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107166673
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
SMILESCOCC(NCC1CCSC1)C1CC1
InChIInChI=1S/C11H21NOS/c1-13-7-11(10-2-3-10)12-6-9-4-5-14-8-9/h9-12H,2-8H2,1H3
InChIKeyWZQLPWOIYSQFHP-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine
CID 80601236
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
N-(1-cyclopropyl-2-methoxyethyl)thian-4-amine
CID 115752868
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
CID 124674576
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
1-cyclopropyl-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115712574
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179
4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol
CID 107166358
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine (CID 107166673) is 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine is COCC(NCC1CCSC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is WZQLPWOIYSQFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-13-7-11(10-2-3-10)12-6-9-4-5-14-8-9/h9-12H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine?
1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 215.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107166673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).