(1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol

C15H29NOS — CID 130413926

IUPAC(1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol
SMILESCCC1(CS)C(N2CCOCC2)CC(C)C1(C)C
InChIInChI=1S/C15H29NOS/c1-5-15(11-18)13(10-12(2)14(15,3)4)16-6-8-17-9-7-16/h12-13,18H,5-11H2,1-4H3
InChIKeyDMJNLAMTZQTQFW-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.08
Rot. Bonds3

About (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol

(1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol (PubChem CID 130413926) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol.

Molecular Properties

Compound Name(1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol
PubChem CID130413926
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name(1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol
SMILESCCC1(CS)C(N2CCOCC2)CC(C)C1(C)C
InChIInChI=1S/C15H29NOS/c1-5-15(11-18)13(10-12(2)14(15,3)4)16-6-8-17-9-7-16/h12-13,18H,5-11H2,1-4H3
InChIKeyDMJNLAMTZQTQFW-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol?
The IUPAC name of (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol (CID 130413926) is (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol.
What is the SMILES notation for (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol?
The canonical SMILES for (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol is CCC1(CS)C(N2CCOCC2)CC(C)C1(C)C.
What is the InChIKey of (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol?
The InChIKey is DMJNLAMTZQTQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-5-15(11-18)13(10-12(2)14(15,3)4)16-6-8-17-9-7-16/h12-13,18H,5-11H2,1-4H3.
What are the key properties of (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol?
(1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol has a molecular weight of 271.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2,2,3-trimethyl-5-morpholin-4-ylcyclopentyl)methanethiol is sourced from PubChem (CID 130413926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).