3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol

C16H21N3O4S — CID 133490659

IUPAC3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
SMILESO=S(=O)(c1ccc(NC(CCO)c2ccco2)nc1)N1CCCC1
InChIInChI=1S/C16H21N3O4S/c20-10-7-14(15-4-3-11-23-15)18-16-6-5-13(12-17-16)24(21,22)19-8-1-2-9-19/h3-6,11-12,14,20H,1-2,7-10H2,(H,17,18)
InChIKeyWFFXBJJJHMWBNA-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.99
Rot. Bonds7

About 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol

3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol (PubChem CID 133490659) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
PubChem CID133490659
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
SMILESO=S(=O)(c1ccc(NC(CCO)c2ccco2)nc1)N1CCCC1
InChIInChI=1S/C16H21N3O4S/c20-10-7-14(15-4-3-11-23-15)18-16-6-5-13(12-17-16)24(21,22)19-8-1-2-9-19/h3-6,11-12,14,20H,1-2,7-10H2,(H,17,18)
InChIKeyWFFXBJJJHMWBNA-UHFFFAOYSA-N
XLogP1.99
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
CID 133490784
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 96510190
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55346504
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol
CID 133400176
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 30756951

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol (CID 133490659) is 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol is O=S(=O)(c1ccc(NC(CCO)c2ccco2)nc1)N1CCCC1.
What is the InChIKey of 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The InChIKey is WFFXBJJJHMWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c20-10-7-14(15-4-3-11-23-15)18-16-6-5-13(12-17-16)24(21,22)19-8-1-2-9-19/h3-6,11-12,14,20H,1-2,7-10H2,(H,17,18).
What are the key properties of 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol has a molecular weight of 351.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 133490659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).