(2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide

C13H22N2O3S2 — CID 98775242

IUPAC(2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C
InChIInChI=1S/C13H22N2O3S2/c1-10-5-6-19-13(10)8-14(4)20(16,17)15-7-12(3)18-9-11(15)2/h5-6,11-12H,7-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyDAPLKEFMWKITEB-NEPJUHHUSA-N
MW318.46 g/mol
LogP1.84
Rot. Bonds4

About (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide

(2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide (PubChem CID 98775242) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide
PubChem CID98775242
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name(2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C
InChIInChI=1S/C13H22N2O3S2/c1-10-5-6-19-13(10)8-14(4)20(16,17)15-7-12(3)18-9-11(15)2/h5-6,11-12H,7-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyDAPLKEFMWKITEB-NEPJUHHUSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide?
The IUPAC name of (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide (CID 98775242) is (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide is Cc1ccsc1CN(C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C.
What is the InChIKey of (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide?
The InChIKey is DAPLKEFMWKITEB-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10-5-6-19-13(10)8-14(4)20(16,17)15-7-12(3)18-9-11(15)2/h5-6,11-12H,7-9H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide?
(2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 98775242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).