(2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide

C17H27N3O3S — CID 155493739

IUPAC(2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H27N3O3S/c1-18(2)24(21,22)20-12-13-23-16(14-19-10-6-7-11-19)17(20)15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyGSLHLVFWYJQLGB-IRXDYDNUSA-N
MW353.49 g/mol
LogP1.33
Rot. Bonds5

About (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide

(2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide (PubChem CID 155493739) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide
PubChem CID155493739
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name(2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H27N3O3S/c1-18(2)24(21,22)20-12-13-23-16(14-19-10-6-7-11-19)17(20)15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyGSLHLVFWYJQLGB-IRXDYDNUSA-N
XLogP1.33
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-methyl-2-(morpholin-4-ylmethyl)-N-propan-2-yl-3-pyridin-3-ylmorpholine-4-sulfonamide
CID 155494427
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
CID 155504432
[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]urea
CID 155493453
2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
5-oxo-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentanamide
CID 155497327
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
(3-chloro-4-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499818
3-cyclobutyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155507576
2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940011
(4-hydroxy-2-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155495519

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide?
The IUPAC name of (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide (CID 155493739) is (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide.
What is the SMILES notation for (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide?
The canonical SMILES for (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide is CN(C)S(=O)(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide?
The InChIKey is GSLHLVFWYJQLGB-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-18(2)24(21,22)20-12-13-23-16(14-19-10-6-7-11-19)17(20)15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide?
(2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N-dimethyl-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 155493739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).