ethane;2,2,4-trimethylthiomorpholine

C9H21NS — CID 144581692

IUPACethane;2,2,4-trimethylthiomorpholine
SMILESCC.CN1CCSC(C)(C)C1
InChIInChI=1S/C7H15NS.C2H6/c1-7(2)6-8(3)4-5-9-7;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyHGSFXDVPBFQWIR-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.47
Rot. Bonds

About ethane;2,2,4-trimethylthiomorpholine

ethane;2,2,4-trimethylthiomorpholine (PubChem CID 144581692) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is ethane;2,2,4-trimethylthiomorpholine.

Molecular Properties

Compound Nameethane;2,2,4-trimethylthiomorpholine
PubChem CID144581692
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Nameethane;2,2,4-trimethylthiomorpholine
SMILESCC.CN1CCSC(C)(C)C1
InChIInChI=1S/C7H15NS.C2H6/c1-7(2)6-8(3)4-5-9-7;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyHGSFXDVPBFQWIR-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.47
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 ethane;2,2,4-trimethylthiomorpholine?
The IUPAC name of ethane;2,2,4-trimethylthiomorpholine (CID 144581692) is ethane;2,2,4-trimethylthiomorpholine.
What is the SMILES notation for ethane;2,2,4-trimethylthiomorpholine?
The canonical SMILES for ethane;2,2,4-trimethylthiomorpholine is CC.CN1CCSC(C)(C)C1.
What is the InChIKey of ethane;2,2,4-trimethylthiomorpholine?
The InChIKey is HGSFXDVPBFQWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.C2H6/c1-7(2)6-8(3)4-5-9-7;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2,2,4-trimethylthiomorpholine?
ethane;2,2,4-trimethylthiomorpholine has a molecular weight of 175.34 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4-trimethylthiomorpholine is sourced from PubChem (CID 144581692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).