[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol

C13H21N3O3S — CID 62156705

IUPAC[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
SMILESCCCNc1ccc(S(=O)(=O)N2CCCC2CO)cn1
InChIInChI=1S/C13H21N3O3S/c1-2-7-14-13-6-5-12(9-15-13)20(18,19)16-8-3-4-11(16)10-17/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyDLOZAJYLQOMHFJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds6

About [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol

[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 62156705) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
PubChem CID62156705
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
SMILESCCCNc1ccc(S(=O)(=O)N2CCCC2CO)cn1
InChIInChI=1S/C13H21N3O3S/c1-2-7-14-13-6-5-12(9-15-13)20(18,19)16-8-3-4-11(16)10-17/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyDLOZAJYLQOMHFJ-UHFFFAOYSA-N
XLogP1.05
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62164701
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
5-(2-ethylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62146457
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 114613814
[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
CID 62151316
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-[(6-nitro-3-pyridinyl)sulfonyl]azepan-2-yl]methanol
CID 116636739

Frequently Asked Questions

What is the IUPAC name of [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol (CID 62156705) is [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol is CCCNc1ccc(S(=O)(=O)N2CCCC2CO)cn1.
What is the InChIKey of [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is DLOZAJYLQOMHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-7-14-13-6-5-12(9-15-13)20(18,19)16-8-3-4-11(16)10-17/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H,14,15).
What are the key properties of [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol?
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 299.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62156705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).