4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine

C8H17NO3S2 — CID 139452580

IUPAC4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine
SMILESCSC(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17NO3S2/c1-8(2,13-3)14(10,11)9-4-6-12-7-5-9/h4-7H2,1-3H3
InChIKeyZKSLANVVAMSQTP-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.75
Rot. Bonds3

About 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine

4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine (PubChem CID 139452580) has the molecular formula C8H17NO3S2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine
PubChem CID139452580
Molecular FormulaC8H17NO3S2
Molecular Weight239.36 g/mol
Exact Mass239.06
IUPAC Name4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine
SMILESCSC(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17NO3S2/c1-8(2,13-3)14(10,11)9-4-6-12-7-5-9/h4-7H2,1-3H3
InChIKeyZKSLANVVAMSQTP-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
CID 126656739
4-(2-methylpentan-2-ylsulfonyl)morpholine
CID 138601822
1-fluoro-2,3-dimethyl-3-morpholin-4-ylsulfonylpentane-2-sulfonic acid
CID 126656707
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
CID 103835686
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
CID 1356929
N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine
CID 15914536
N,N-bis(trimethylsilyl)morpholine-4-sulfonamide
CID 71399815
4-methylmorpholine;sulfuric acid
CID 146295231
4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine
CID 118333607
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine?
The IUPAC name of 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine (CID 139452580) is 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine.
What is the SMILES notation for 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine?
The canonical SMILES for 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine is CSC(C)(C)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine?
The InChIKey is ZKSLANVVAMSQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S2/c1-8(2,13-3)14(10,11)9-4-6-12-7-5-9/h4-7H2,1-3H3.
What are the key properties of 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine?
4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine has a molecular weight of 239.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine is sourced from PubChem (CID 139452580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).