ethane;4-(3-methylbutyl)thiomorpholine

C11H25NS — CID 163260458

IUPACethane;4-(3-methylbutyl)thiomorpholine
SMILESCC.CC(C)CCN1CCSCC1
InChIInChI=1S/C9H19NS.C2H6/c1-9(2)3-4-10-5-7-11-8-6-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyIOSDLOVTWXHCKW-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.11
Rot. Bonds3

About ethane;4-(3-methylbutyl)thiomorpholine

ethane;4-(3-methylbutyl)thiomorpholine (PubChem CID 163260458) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is ethane;4-(3-methylbutyl)thiomorpholine.

Molecular Properties

Compound Nameethane;4-(3-methylbutyl)thiomorpholine
PubChem CID163260458
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Nameethane;4-(3-methylbutyl)thiomorpholine
SMILESCC.CC(C)CCN1CCSCC1
InChIInChI=1S/C9H19NS.C2H6/c1-9(2)3-4-10-5-7-11-8-6-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyIOSDLOVTWXHCKW-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylbutyl)-1,3-thiazolidine
CID 59761854
4-(3-methylhexyl)thiomorpholine
CID 123685025
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
1-iodo-4-(3-methylbutyl)piperazine
CID 166948884
2-methyl-5-thiomorpholin-4-ylpentan-1-amine
CID 82017096
3-[4-(3-methylbutyl)piperazin-1-yl]propanal
CID 164535551
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
(2S)-1-[4-(3-methylbutyl)piperazin-1-yl]propane-2-thiol
CID 58721634
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methylbutyl)thiomorpholine?
The IUPAC name of ethane;4-(3-methylbutyl)thiomorpholine (CID 163260458) is ethane;4-(3-methylbutyl)thiomorpholine.
What is the SMILES notation for ethane;4-(3-methylbutyl)thiomorpholine?
The canonical SMILES for ethane;4-(3-methylbutyl)thiomorpholine is CC.CC(C)CCN1CCSCC1.
What is the InChIKey of ethane;4-(3-methylbutyl)thiomorpholine?
The InChIKey is IOSDLOVTWXHCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6/c1-9(2)3-4-10-5-7-11-8-6-10;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(3-methylbutyl)thiomorpholine?
ethane;4-(3-methylbutyl)thiomorpholine has a molecular weight of 203.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methylbutyl)thiomorpholine is sourced from PubChem (CID 163260458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).