N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine

C16H26N4O3S — CID 125018998

IUPACN,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)nc1
InChIInChI=1S/C16H26N4O3S/c1-18(2)13-14-5-6-15(17-12-14)16-4-3-7-20(16)24(21,22)19-8-10-23-11-9-19/h5-6,12,16H,3-4,7-11,13H2,1-2H3/t16-/m1/s1
InChIKeyXSZSXFPNQKMLBZ-MRXNPFEDSA-N
MW354.48 g/mol
LogP0.86
Rot. Bonds5

About N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine (PubChem CID 125018998) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine
PubChem CID125018998
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)nc1
InChIInChI=1S/C16H26N4O3S/c1-18(2)13-14-5-6-15(17-12-14)16-4-3-7-20(16)24(21,22)19-8-10-23-11-9-19/h5-6,12,16H,3-4,7-11,13H2,1-2H3/t16-/m1/s1
InChIKeyXSZSXFPNQKMLBZ-MRXNPFEDSA-N
XLogP0.86
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
CID 110096218
4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine
CID 124951171
4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110096219
N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124995253
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
N-[[6-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094766
N-methyl-4-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 124957346
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124958735
[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 124949943
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
1-[4-[(2R)-1-cyclopropylsulfonylpiperidin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 95728051

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine (CID 125018998) is N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine is CN(C)Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)nc1.
What is the InChIKey of N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine?
The InChIKey is XSZSXFPNQKMLBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-18(2)13-14-5-6-15(17-12-14)16-4-3-7-20(16)24(21,22)19-8-10-23-11-9-19/h5-6,12,16H,3-4,7-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine has a molecular weight of 354.48 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 125018998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).