N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide

C16H25N3O3S — CID 94177877

IUPACN-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,19-10-12-22-13-11-19)17-14-16(18-8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-/m1/s1
InChIKeyIAZKVIDILNJAGG-MRXNPFEDSA-N
MW339.46 g/mol
LogP0.99
Rot. Bonds6

About N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide

N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide (PubChem CID 94177877) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide
PubChem CID94177877
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,19-10-12-22-13-11-19)17-14-16(18-8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-/m1/s1
InChIKeyIAZKVIDILNJAGG-MRXNPFEDSA-N
XLogP0.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)morpholine-4-sulfonamide
CID 43502480
N-[(2S)-2-methoxy-2-phenylethyl]morpholine-4-sulfonamide
CID 94024917
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 107651678
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
2-phenyl-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62883151
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide (CID 94177877) is N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide is O=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide?
The InChIKey is IAZKVIDILNJAGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-23(21,19-10-12-22-13-11-19)17-14-16(18-8-4-5-9-18)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2/t16-/m1/s1.
What are the key properties of N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide?
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 94177877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).