(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine

C10H21NO3S — CID 100567938

IUPAC(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
SMILESCC(C)CS(=O)(=O)N1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C10H21NO3S/c1-8(2)7-15(12,13)11-5-10(4)14-6-9(11)3/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyLZTDPACEXHQUCN-UWVGGRQHSA-N
MW235.35 g/mol
LogP1.08
Rot. Bonds3

About (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine

(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine (PubChem CID 100567938) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
PubChem CID100567938
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
SMILESCC(C)CS(=O)(=O)N1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C10H21NO3S/c1-8(2)7-15(12,13)11-5-10(4)14-6-9(11)3/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyLZTDPACEXHQUCN-UWVGGRQHSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
4-ethenylsulfonyl-2,5-dimethylmorpholine
CID 130543907
2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine
CID 54973972
(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 98700562
(2R,5S)-2,5-dimethyl-4-morpholin-4-ylsulfonylmorpholine
CID 98798030
(2R,5R)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-N,2,5-trimethylmorpholine-4-sulfonamide
CID 99623023
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125145965
4-methyl-5-(2-methylpropylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210347
(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219426

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
The IUPAC name of (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine (CID 100567938) is (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
The canonical SMILES for (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine is CC(C)CS(=O)(=O)N1C[C@H](C)OC[C@@H]1C.
What is the InChIKey of (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
The InChIKey is LZTDPACEXHQUCN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)7-15(12,13)11-5-10(4)14-6-9(11)3/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine has a molecular weight of 235.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine is sourced from PubChem (CID 100567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).