1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine

C12H23NOS — CID 80601236

IUPAC1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine
SMILESCOCC(NCC1CCCCS1)C1CC1
InChIInChI=1S/C12H23NOS/c1-14-9-12(10-5-6-10)13-8-11-4-2-3-7-15-11/h10-13H,2-9H2,1H3
InChIKeyKLXIMXRMGIXZST-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds6

About 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine

1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine (PubChem CID 80601236) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine
PubChem CID80601236
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine
SMILESCOCC(NCC1CCCCS1)C1CC1
InChIInChI=1S/C12H23NOS/c1-14-9-12(10-5-6-10)13-8-11-4-2-3-7-15-11/h10-13H,2-9H2,1H3
InChIKeyKLXIMXRMGIXZST-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
CID 107166673
1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
CID 104537124
1-cyclopropyl-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115712574
1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine
CID 80584362
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
methyl 2-methyl-3-(thian-2-ylmethylamino)butanoate
CID 80600200
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
CID 80599814
ethyl 2-(thian-2-ylmethylamino)butanoate
CID 80601085

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine (CID 80601236) is 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine is COCC(NCC1CCCCS1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine?
The InChIKey is KLXIMXRMGIXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-14-9-12(10-5-6-10)13-8-11-4-2-3-7-15-11/h10-13H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine?
1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 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-(thian-2-ylmethyl)ethanamine is sourced from PubChem (CID 80601236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).