2,2-dimethylthiomorpholine;hydrochloride

C6H14ClNS — CID 169438697

IUPAC2,2-dimethylthiomorpholine;hydrochloride
SMILESCC1(C)CNCCS1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-6(2)5-7-3-4-8-6;/h7H,3-5H2,1-2H3;1H
InChIKeyVBDAYQSOBCWOOS-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.52
Rot. Bonds

About 2,2-dimethylthiomorpholine;hydrochloride

2,2-dimethylthiomorpholine;hydrochloride (PubChem CID 169438697) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is 2,2-dimethylthiomorpholine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethylthiomorpholine;hydrochloride
PubChem CID169438697
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC Name2,2-dimethylthiomorpholine;hydrochloride
SMILESCC1(C)CNCCS1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-6(2)5-7-3-4-8-6;/h7H,3-5H2,1-2H3;1H
InChIKeyVBDAYQSOBCWOOS-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methyl-6-propan-2-yl-1,4-thiazepane
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6-ethyl-6-methyl-1,4-thiazepane
CID 166825864
7,7-dimethyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456174
ethane;(3S)-3-methylpyrrolidine-3-carbonitrile
CID 172607347
4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 164646754
2-azaspiro[4.5]decane;butane;ethane;ethene;1-thia-4,8-diazaspiro[5.5]undecane
CID 143190986
thiomorpholine;trihydrochloride
CID 141375398
(2R)-2-ethyl-2-methyl-1,3-thiazolidine
CID 129361769
7,7-dimethyl-4-[(3-propylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456138
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
7-azaspiro[4.6]undecane;hydrochloride
CID 138039788

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylthiomorpholine;hydrochloride?
The IUPAC name of 2,2-dimethylthiomorpholine;hydrochloride (CID 169438697) is 2,2-dimethylthiomorpholine;hydrochloride.
What is the SMILES notation for 2,2-dimethylthiomorpholine;hydrochloride?
The canonical SMILES for 2,2-dimethylthiomorpholine;hydrochloride is CC1(C)CNCCS1.Cl.
What is the InChIKey of 2,2-dimethylthiomorpholine;hydrochloride?
The InChIKey is VBDAYQSOBCWOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-6(2)5-7-3-4-8-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 2,2-dimethylthiomorpholine;hydrochloride?
2,2-dimethylthiomorpholine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylthiomorpholine;hydrochloride is sourced from PubChem (CID 169438697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).