4-(3-methylhexyl)thiomorpholine

C11H23NS — CID 123685025

IUPAC4-(3-methylhexyl)thiomorpholine
SMILESCCCC(C)CCN1CCSCC1
InChIInChI=1S/C11H23NS/c1-3-4-11(2)5-6-12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyFMJMPCCDKMFJHK-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds5

About 4-(3-methylhexyl)thiomorpholine

4-(3-methylhexyl)thiomorpholine (PubChem CID 123685025) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-(3-methylhexyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methylhexyl)thiomorpholine
PubChem CID123685025
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-(3-methylhexyl)thiomorpholine
SMILESCCCC(C)CCN1CCSCC1
InChIInChI=1S/C11H23NS/c1-3-4-11(2)5-6-12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyFMJMPCCDKMFJHK-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-(3-methylbutyl)thiomorpholine
CID 163260458
4-ethyl-1-(3-methylhexyl)piperidine
CID 176984647
2-methyl-5-thiomorpholin-4-ylpentan-1-amine
CID 82017096
4-pentan-2-ylthiomorpholine
CID 127402640
3-methyl-4-thiomorpholin-4-ylbutan-1-amine
CID 80544101
(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol
CID 118890204
3-(3-methylbutyl)-1,3-thiazolidine
CID 59761854
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
acetylene;4-methylheptane
CID 143164229
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexyl)thiomorpholine?
The IUPAC name of 4-(3-methylhexyl)thiomorpholine (CID 123685025) is 4-(3-methylhexyl)thiomorpholine.
What is the SMILES notation for 4-(3-methylhexyl)thiomorpholine?
The canonical SMILES for 4-(3-methylhexyl)thiomorpholine is CCCC(C)CCN1CCSCC1.
What is the InChIKey of 4-(3-methylhexyl)thiomorpholine?
The InChIKey is FMJMPCCDKMFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-4-11(2)5-6-12-7-9-13-10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-(3-methylhexyl)thiomorpholine?
4-(3-methylhexyl)thiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexyl)thiomorpholine is sourced from PubChem (CID 123685025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).