(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine

C13H25NOS — CID 28720066

IUPAC(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
SMILESC1CCC(OCCCN[C@@H]2CCSC2)CC1
InChIInChI=1S/C13H25NOS/c1-2-5-13(6-3-1)15-9-4-8-14-12-7-10-16-11-12/h12-14H,1-11H2/t12-/m1/s1
InChIKeyGGFZPPLUBXYDGD-GFCCVEGCSA-N
MW243.42 g/mol
LogP2.82
Rot. Bonds6

About (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine

(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine (PubChem CID 28720066) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
PubChem CID28720066
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine
SMILESC1CCC(OCCCN[C@@H]2CCSC2)CC1
InChIInChI=1S/C13H25NOS/c1-2-5-13(6-3-1)15-9-4-8-14-12-7-10-16-11-12/h12-14H,1-11H2/t12-/m1/s1
InChIKeyGGFZPPLUBXYDGD-GFCCVEGCSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine?
The IUPAC name of (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine (CID 28720066) is (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine.
What is the SMILES notation for (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine?
The canonical SMILES for (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine is C1CCC(OCCCN[C@@H]2CCSC2)CC1.
What is the InChIKey of (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine?
The InChIKey is GGFZPPLUBXYDGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-5-13(6-3-1)15-9-4-8-14-12-7-10-16-11-12/h12-14H,1-11H2/t12-/m1/s1.
What are the key properties of (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine?
(3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine has a molecular weight of 243.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyclohexyloxypropyl)thiolan-3-amine is sourced from PubChem (CID 28720066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).