2-methyl-4-propan-2-ylsulfonylmorpholine

C8H17NO3S — CID 61355181

IUPAC2-methyl-4-propan-2-ylsulfonylmorpholine
SMILESCC1CN(S(=O)(=O)C(C)C)CCO1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-4-5-12-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyNFWSHHNAMACDKP-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds2

About 2-methyl-4-propan-2-ylsulfonylmorpholine

2-methyl-4-propan-2-ylsulfonylmorpholine (PubChem CID 61355181) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylsulfonylmorpholine
PubChem CID61355181
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-methyl-4-propan-2-ylsulfonylmorpholine
SMILESCC1CN(S(=O)(=O)C(C)C)CCO1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-4-5-12-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyNFWSHHNAMACDKP-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 110631373
(2S)-4-cyclopropylsulfonyl-2-methylmorpholine
CID 131022684
(2S)-4-cyclobutylsulfonyl-2-methylmorpholine
CID 155354330
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
(2S)-4-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-2-methylmorpholine
CID 97024717
ethyl 2-methylmorpholine-4-sulfonate
CID 87535337
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
3-methyl-1-propan-2-ylsulfonylazetidine
CID 59266025
(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane
CID 161136062
4-(2-methoxyethylsulfonyl)-2-methylmorpholine
CID 110310083
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
2-methyl-4-propan-2-ylmorpholine
CID 176666634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylsulfonylmorpholine?
The IUPAC name of 2-methyl-4-propan-2-ylsulfonylmorpholine (CID 61355181) is 2-methyl-4-propan-2-ylsulfonylmorpholine.
What is the SMILES notation for 2-methyl-4-propan-2-ylsulfonylmorpholine?
The canonical SMILES for 2-methyl-4-propan-2-ylsulfonylmorpholine is CC1CN(S(=O)(=O)C(C)C)CCO1.
What is the InChIKey of 2-methyl-4-propan-2-ylsulfonylmorpholine?
The InChIKey is NFWSHHNAMACDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-4-5-12-8(3)6-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylsulfonylmorpholine?
2-methyl-4-propan-2-ylsulfonylmorpholine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylsulfonylmorpholine is sourced from PubChem (CID 61355181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).