4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine

C12H23NOS — CID 107295378

IUPAC4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC2CCSC2)CC1
InChIInChI=1S/C12H23NOS/c1-14-12-4-2-11(3-5-12)13-8-10-6-7-15-9-10/h10-13H,2-9H2,1H3
InChIKeyTWLRAGJAHXOHRP-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds4

About 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine

4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine (PubChem CID 107295378) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
PubChem CID107295378
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC2CCSC2)CC1
InChIInChI=1S/C12H23NOS/c1-14-12-4-2-11(3-5-12)13-8-10-6-7-15-9-10/h10-13H,2-9H2,1H3
InChIKeyTWLRAGJAHXOHRP-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine (CID 107295378) is 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine is COC1CCC(NCC2CCSC2)CC1.
What is the InChIKey of 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is TWLRAGJAHXOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-14-12-4-2-11(3-5-12)13-8-10-6-7-15-9-10/h10-13H,2-9H2,1H3.
What are the key properties of 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(thiolan-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107295378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).