1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol

C11H17N3O3S — CID 103355759

IUPAC1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(CN)nc2)C1
InChIInChI=1S/C11H17N3O3S/c1-11(15)4-5-14(8-11)18(16,17)10-3-2-9(6-12)13-7-10/h2-3,7,15H,4-6,8,12H2,1H3
InChIKeyMEQRXXDZSBELFH-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.31
Rot. Bonds3

About 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol

1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol (PubChem CID 103355759) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
PubChem CID103355759
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(CN)nc2)C1
InChIInChI=1S/C11H17N3O3S/c1-11(15)4-5-14(8-11)18(16,17)10-3-2-9(6-12)13-7-10/h2-3,7,15H,4-6,8,12H2,1H3
InChIKeyMEQRXXDZSBELFH-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
1-(2-hydrazinylpyrimidin-5-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103356611
[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613052
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
CID 103871349
4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol
CID 81102850
1-(3-amino-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355073
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
CID 114613753
1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-ethylpyrrolidin-3-ol
CID 142309464
1-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]sulfonyl-3-methylpyrrolidin-3-ol
CID 103357681
[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613509

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol (CID 103355759) is 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)c2ccc(CN)nc2)C1.
What is the InChIKey of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol?
The InChIKey is MEQRXXDZSBELFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(15)4-5-14(8-11)18(16,17)10-3-2-9(6-12)13-7-10/h2-3,7,15H,4-6,8,12H2,1H3.
What are the key properties of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol?
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol has a molecular weight of 271.34 g/mol, XLogP of -0.31, 3 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-3-ol is sourced from PubChem (CID 103355759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).