[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol

C11H17N3O3S — CID 102789173

IUPAC[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccnc(N)c2)C1CO
InChIInChI=1S/C11H17N3O3S/c1-8-3-5-14(10(8)7-15)18(16,17)9-2-4-13-11(12)6-9/h2,4,6,8,10,15H,3,5,7H2,1H3,(H2,12,13)
InChIKeyMODHTSLJLJUMMN-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.06
Rot. Bonds3

About [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789173) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789173
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccnc(N)c2)C1CO
InChIInChI=1S/C11H17N3O3S/c1-8-3-5-14(10(8)7-15)18(16,17)9-2-4-13-11(12)6-9/h2,4,6,8,10,15H,3,5,7H2,1H3,(H2,12,13)
InChIKeyMODHTSLJLJUMMN-UHFFFAOYSA-N
XLogP0.06
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
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
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
[3-methyl-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786152
[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781987
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786318
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 102784368
4-[(2-amino-4-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66069947

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789173) is [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)c2ccnc(N)c2)C1CO.
What is the InChIKey of [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is MODHTSLJLJUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-3-5-14(10(8)7-15)18(16,17)9-2-4-13-11(12)6-9/h2,4,6,8,10,15H,3,5,7H2,1H3,(H2,12,13).
What are the key properties of [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 271.34 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).