[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol

C12H19N3O3S — CID 102778534

IUPAC[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccc(CN)nc2)C1CO
InChIInChI=1S/C12H19N3O3S/c1-9-4-5-15(12(9)8-16)19(17,18)11-3-2-10(6-13)14-7-11/h2-3,7,9,12,16H,4-6,8,13H2,1H3
InChIKeyVZCXPKJIWYZVJF-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.07
Rot. Bonds4

About [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol

[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102778534) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102778534
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccc(CN)nc2)C1CO
InChIInChI=1S/C12H19N3O3S/c1-9-4-5-15(12(9)8-16)19(17,18)11-3-2-10(6-13)14-7-11/h2-3,7,9,12,16H,4-6,8,13H2,1H3
InChIKeyVZCXPKJIWYZVJF-UHFFFAOYSA-N
XLogP-0.07
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789173
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
[3-methyl-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786152
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 102786347
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzoic acid
CID 102778354
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 102784368
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060

Frequently Asked Questions

What is the IUPAC name of [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol (CID 102778534) is [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)c2ccc(CN)nc2)C1CO.
What is the InChIKey of [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is VZCXPKJIWYZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-4-5-15(12(9)8-16)19(17,18)11-3-2-10(6-13)14-7-11/h2-3,7,9,12,16H,4-6,8,13H2,1H3.
What are the key properties of [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102778534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).