2,2-ditert-butyl-4-methylsulfonylmorpholine

C13H27NO3S — CID 140924945

IUPAC2,2-ditert-butyl-4-methylsulfonylmorpholine
SMILESCC(C)(C)C1(C(C)(C)C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C13H27NO3S/c1-11(2,3)13(12(4,5)6)10-14(8-9-17-13)18(7,15)16/h8-10H2,1-7H3
InChIKeyIUPAUYVVLXEMRR-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.11
Rot. Bonds1

About 2,2-ditert-butyl-4-methylsulfonylmorpholine

2,2-ditert-butyl-4-methylsulfonylmorpholine (PubChem CID 140924945) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2,2-ditert-butyl-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2,2-ditert-butyl-4-methylsulfonylmorpholine
PubChem CID140924945
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2,2-ditert-butyl-4-methylsulfonylmorpholine
SMILESCC(C)(C)C1(C(C)(C)C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C13H27NO3S/c1-11(2,3)13(12(4,5)6)10-14(8-9-17-13)18(7,15)16/h8-10H2,1-7H3
InChIKeyIUPAUYVVLXEMRR-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-tert-butyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126502697
4-methylsulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
CID 165463206
1-[4-[(2R)-2-methyl-4-methylsulfonylmorpholine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124979282
2-methylsulfonyl-7-oxa-2-azaspiro[3.5]nonane
CID 130670173
4-(cyclohexylmethyl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155875510
(2R)-N-ethyl-N-(2-hydroxyethyl)-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124991542
4-bromo-3,3-dimethyl-1-methylsulfonylpiperidine
CID 130533745
5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
CID 163234157
(6R)-4-methylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495133
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
1-(3-tert-butylcyclobutyl)-4-methylsulfonylpiperazine
CID 58209113
N,N-dimethyl-2-[(6S)-4-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 97398407

Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butyl-4-methylsulfonylmorpholine?
The IUPAC name of 2,2-ditert-butyl-4-methylsulfonylmorpholine (CID 140924945) is 2,2-ditert-butyl-4-methylsulfonylmorpholine.
What is the SMILES notation for 2,2-ditert-butyl-4-methylsulfonylmorpholine?
The canonical SMILES for 2,2-ditert-butyl-4-methylsulfonylmorpholine is CC(C)(C)C1(C(C)(C)C)CN(S(C)(=O)=O)CCO1.
What is the InChIKey of 2,2-ditert-butyl-4-methylsulfonylmorpholine?
The InChIKey is IUPAUYVVLXEMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-11(2,3)13(12(4,5)6)10-14(8-9-17-13)18(7,15)16/h8-10H2,1-7H3.
What are the key properties of 2,2-ditert-butyl-4-methylsulfonylmorpholine?
2,2-ditert-butyl-4-methylsulfonylmorpholine has a molecular weight of 277.43 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-4-methylsulfonylmorpholine is sourced from PubChem (CID 140924945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).