4-(2,4,4-trimethylpentan-2-yl)thiomorpholine

C12H25NS — CID 91470438

IUPAC4-(2,4,4-trimethylpentan-2-yl)thiomorpholine
SMILESCC(C)(C)CC(C)(C)N1CCSCC1
InChIInChI=1S/C12H25NS/c1-11(2,3)10-12(4,5)13-6-8-14-9-7-13/h6-10H2,1-5H3
InChIKeyXDPZISWMKIXORA-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds2

About 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine

4-(2,4,4-trimethylpentan-2-yl)thiomorpholine (PubChem CID 91470438) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2,4,4-trimethylpentan-2-yl)thiomorpholine
PubChem CID91470438
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-(2,4,4-trimethylpentan-2-yl)thiomorpholine
SMILESCC(C)(C)CC(C)(C)N1CCSCC1
InChIInChI=1S/C12H25NS/c1-11(2,3)10-12(4,5)13-6-8-14-9-7-13/h6-10H2,1-5H3
InChIKeyXDPZISWMKIXORA-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylpentyl)thiomorpholine
CID 134994483
4-(4,4-Dimethylpentyl)thiomorpholine
CID 21030124
CID 58171955
CID 58171955
4-(2,3,3-Trimethylbutan-2-yl)thiomorpholine
CID 58374219
4-(4-Methylpentyl)thiomorpholine
CID 58958244
4-(5,5-Dimethylhexyl)thiomorpholine
CID 58974868
1-Tert-butyl-4-tert-butylsulfanylpiperidine
CID 59522756
3,5-Ditert-butyl-4-propan-2-ylthiomorpholine
CID 59617055
4-(3,3-Dimethylbutyl)thiomorpholine
CID 59829127
4-(2,4-Dimethylpentan-3-yl)thiomorpholine
CID 59840729
3,4-Ditert-butylthiomorpholine
CID 59918152
1-(2-Ethylsulfanylethyl)-3-methylpiperidine
CID 60061025

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine?
The IUPAC name of 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine (CID 91470438) is 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine.
What is the SMILES notation for 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine?
The canonical SMILES for 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine is CC(C)(C)CC(C)(C)N1CCSCC1.
What is the InChIKey of 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine?
The InChIKey is XDPZISWMKIXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11(2,3)10-12(4,5)13-6-8-14-9-7-13/h6-10H2,1-5H3.
What are the key properties of 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine?
4-(2,4,4-trimethylpentan-2-yl)thiomorpholine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4-trimethylpentan-2-yl)thiomorpholine is sourced from PubChem (CID 91470438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).