N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide

C16H25N3O3S — CID 51872327

IUPACN-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,19-8-4-5-9-19)17-16(15-6-2-1-3-7-15)14-18-10-12-22-13-11-18/h1-3,6-7,16-17H,4-5,8-14H2/t16-/m1/s1
InChIKeyBRJSFMJAIVDBSD-MRXNPFEDSA-N
MW339.46 g/mol
LogP0.99
Rot. Bonds6

About N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide (PubChem CID 51872327) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
PubChem CID51872327
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,19-8-4-5-9-19)17-16(15-6-2-1-3-7-15)14-18-10-12-22-13-11-18/h1-3,6-7,16-17H,4-5,8-14H2/t16-/m1/s1
InChIKeyBRJSFMJAIVDBSD-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-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
CID 61124934
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845093
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845190

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide (CID 51872327) is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide is O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)N1CCCC1.
What is the InChIKey of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide?
The InChIKey is BRJSFMJAIVDBSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-23(21,19-8-4-5-9-19)17-16(15-6-2-1-3-7-15)14-18-10-12-22-13-11-18/h1-3,6-7,16-17H,4-5,8-14H2/t16-/m1/s1.
What are the key properties of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide?
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-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-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 51872327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).