1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine

C20H26N4OS — CID 166097327

IUPAC1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NSc3ccc(N4CCOCC4)nc3)C2)cc1
InChIInChI=1S/C20H26N4OS/c1-2-4-17(5-3-1)15-23-9-8-18(16-23)22-26-19-6-7-20(21-14-19)24-10-12-25-13-11-24/h1-7,14,18,22H,8-13,15-16H2
InChIKeyCMVUNEXXOLJTLZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.79
Rot. Bonds6

About 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine

1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine (PubChem CID 166097327) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine
PubChem CID166097327
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NSc3ccc(N4CCOCC4)nc3)C2)cc1
InChIInChI=1S/C20H26N4OS/c1-2-4-17(5-3-1)15-23-9-8-18(16-23)22-26-19-6-7-20(21-14-19)24-10-12-25-13-11-24/h1-7,14,18,22H,8-13,15-16H2
InChIKeyCMVUNEXXOLJTLZ-UHFFFAOYSA-N
XLogP2.79
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
4-[5-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine
CID 24784906
N-[(1-benzylpiperidin-4-yl)methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)acetamide
CID 69334741
N-[(3S)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 166097304
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995172
N-methyl-4-[(3-methylpiperazin-1-yl)methyl]-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]aniline
CID 143811053
N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996210
N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine
CID 95219570

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine (CID 166097327) is 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine is c1ccc(CN2CCC(NSc3ccc(N4CCOCC4)nc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine?
The InChIKey is CMVUNEXXOLJTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-2-4-17(5-3-1)15-23-9-8-18(16-23)22-26-19-6-7-20(21-14-19)24-10-12-25-13-11-24/h1-7,14,18,22H,8-13,15-16H2.
What are the key properties of 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine?
1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine has a molecular weight of 370.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine is sourced from PubChem (CID 166097327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).