2,2-dimethyl-4-propylsulfonylthiomorpholine

C9H19NO2S2 — CID 115683071

IUPAC2,2-dimethyl-4-propylsulfonylthiomorpholine
SMILESCCCS(=O)(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C9H19NO2S2/c1-4-7-14(11,12)10-5-6-13-9(2,3)8-10/h4-8H2,1-3H3
InChIKeyWJMCJYHVVHQXAF-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.55
Rot. Bonds3

About 2,2-dimethyl-4-propylsulfonylthiomorpholine

2,2-dimethyl-4-propylsulfonylthiomorpholine (PubChem CID 115683071) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-propylsulfonylthiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-propylsulfonylthiomorpholine
PubChem CID115683071
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC Name2,2-dimethyl-4-propylsulfonylthiomorpholine
SMILESCCCS(=O)(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C9H19NO2S2/c1-4-7-14(11,12)10-5-6-13-9(2,3)8-10/h4-8H2,1-3H3
InChIKeyWJMCJYHVVHQXAF-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-propylsulfonylpiperidin-4-ol
CID 115269681
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-N-propylbutan-1-amine
CID 107460039
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]propan-1-ol
CID 107459905
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]butan-1-amine
CID 107459996
2-propylsulfonyl-2,8-diazaspiro[4.5]decane
CID 83723515
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
CID 172882114
2-[4-(2,2-dimethylthiomorpholin-4-yl)sulfonylphenyl]acetonitrile
CID 115683063
2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine
CID 102693433
3,3-dimethyl-9-propylsulfonyl-1,2,4,5-tetraoxa-9-azaspiro[5.5]undecane
CID 171354931

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propylsulfonylthiomorpholine?
The IUPAC name of 2,2-dimethyl-4-propylsulfonylthiomorpholine (CID 115683071) is 2,2-dimethyl-4-propylsulfonylthiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-propylsulfonylthiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-propylsulfonylthiomorpholine is CCCS(=O)(=O)N1CCSC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-propylsulfonylthiomorpholine?
The InChIKey is WJMCJYHVVHQXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-4-7-14(11,12)10-5-6-13-9(2,3)8-10/h4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-propylsulfonylthiomorpholine?
2,2-dimethyl-4-propylsulfonylthiomorpholine has a molecular weight of 237.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propylsulfonylthiomorpholine is sourced from PubChem (CID 115683071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).