4-ethyl-2,2-dimethylthiomorpholine

C8H17NS — CID 127428444

IUPAC4-ethyl-2,2-dimethylthiomorpholine
SMILESCCN1CCSC(C)(C)C1
InChIInChI=1S/C8H17NS/c1-4-9-5-6-10-8(2,3)7-9/h4-7H2,1-3H3
InChIKeyAPZVHOCUZQGBGD-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About 4-ethyl-2,2-dimethylthiomorpholine

4-ethyl-2,2-dimethylthiomorpholine (PubChem CID 127428444) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-ethyl-2,2-dimethylthiomorpholine
PubChem CID127428444
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-ethyl-2,2-dimethylthiomorpholine
SMILESCCN1CCSC(C)(C)C1
InChIInChI=1S/C8H17NS/c1-4-9-5-6-10-8(2,3)7-9/h4-7H2,1-3H3
InChIKeyAPZVHOCUZQGBGD-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hexylthiomorpholine
CID 11424017
4-(But-3-yn-1-yl)-2,6-dimethylthiomorpholine
CID 64119802
4-(But-3-yn-1-yl)-2,2-dimethylthiomorpholine
CID 99636982
2,2-Dimethyl-4-(prop-2-yn-1-yl)thiomorpholine
CID 115683618
3-(2,2-Dimethylthiomorpholin-4-yl)propanenitrile
CID 115683622
2,2-Dimethyl-4-(pent-4-yn-1-yl)thiomorpholine
CID 115873226
2,2-Dimethylthiomorpholine-4-carbonitrile
CID 116404789
2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
4-Butylthiomorpholine
CID 12517933
3-Tert-butyl-1,3-thiazinane
CID 12634521
2,4-Dimethylthiomorpholine
CID 14953861

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethylthiomorpholine?
The IUPAC name of 4-ethyl-2,2-dimethylthiomorpholine (CID 127428444) is 4-ethyl-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-ethyl-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-ethyl-2,2-dimethylthiomorpholine is CCN1CCSC(C)(C)C1.
What is the InChIKey of 4-ethyl-2,2-dimethylthiomorpholine?
The InChIKey is APZVHOCUZQGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-9-5-6-10-8(2,3)7-9/h4-7H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dimethylthiomorpholine?
4-ethyl-2,2-dimethylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethylthiomorpholine is sourced from PubChem (CID 127428444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).