N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide

C15H24N2O2S2 — CID 95630156

IUPACN-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCS[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C15H24N2O2S2/c1-13-15(14-7-4-3-5-8-14)17(10-11-20-13)9-6-12-21(18,19)16-2/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyAVEPTJOUEHQNOO-ZFWWWQNUSA-N
MW328.50 g/mol
LogP2.10
Rot. Bonds6

About N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide

N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide (PubChem CID 95630156) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide
PubChem CID95630156
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCS[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C15H24N2O2S2/c1-13-15(14-7-4-3-5-8-14)17(10-11-20-13)9-6-12-21(18,19)16-2/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyAVEPTJOUEHQNOO-ZFWWWQNUSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
CID 95630149
1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95630129
2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
CID 119931929
2-methyl-5-[(2-methyl-3-phenylthiomorpholin-4-yl)methyl]-1,3,4-oxadiazole
CID 56792507
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
(2R,3S)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-3-phenylthiomorpholine
CID 95630131
N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95630125
[5-[(2R,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-5-oxopentyl]urea
CID 124567149
3-cyclopropyl-5-[[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]-1,2,4-oxadiazole
CID 95630116
2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine
CID 71179455
[1-[(2S,3S)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
CID 124589127
[1-[(2S,3R)-2-methyl-3-phenylthiomorpholine-4-carbonyl]cyclopropyl]urea
CID 124589130

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide (CID 95630156) is N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide is CNS(=O)(=O)CCCN1CCS[C@@H](C)[C@H]1c1ccccc1.
What is the InChIKey of N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide?
The InChIKey is AVEPTJOUEHQNOO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-13-15(14-7-4-3-5-8-14)17(10-11-20-13)9-6-12-21(18,19)16-2/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide?
N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S,3R)-2-methyl-3-phenylthiomorpholin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 95630156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).