4-(cyclohexylmethyl)thiomorpholine

C11H21NS — CID 12869921

IUPAC4-(cyclohexylmethyl)thiomorpholine
SMILESC1CCC(CN2CCSCC2)CC1
InChIInChI=1S/C11H21NS/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h11H,1-10H2
InChIKeyWVQOMHQCPFZSHI-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.62
Rot. Bonds2

About 4-(cyclohexylmethyl)thiomorpholine

4-(cyclohexylmethyl)thiomorpholine (PubChem CID 12869921) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)thiomorpholine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)thiomorpholine
PubChem CID12869921
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name4-(cyclohexylmethyl)thiomorpholine
SMILESC1CCC(CN2CCSCC2)CC1
InChIInChI=1S/C11H21NS/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h11H,1-10H2
InChIKeyWVQOMHQCPFZSHI-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)thiomorpholine?
The IUPAC name of 4-(cyclohexylmethyl)thiomorpholine (CID 12869921) is 4-(cyclohexylmethyl)thiomorpholine.
What is the SMILES notation for 4-(cyclohexylmethyl)thiomorpholine?
The canonical SMILES for 4-(cyclohexylmethyl)thiomorpholine is C1CCC(CN2CCSCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)thiomorpholine?
The InChIKey is WVQOMHQCPFZSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h11H,1-10H2.
What are the key properties of 4-(cyclohexylmethyl)thiomorpholine?
4-(cyclohexylmethyl)thiomorpholine has a molecular weight of 199.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)thiomorpholine is sourced from PubChem (CID 12869921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).