1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C12H20N4O3S — CID 66056977

IUPAC1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cccnc1N
InChIInChI=1S/C12H20N4O3S/c1-15(2)7-9-6-10(17)8-16(9)20(18,19)11-4-3-5-14-12(11)13/h3-5,9-10,17H,6-8H2,1-2H3,(H2,13,14)
InChIKeyUKRPQSUUXCIDOP-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.65
Rot. Bonds4

About 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66056977) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66056977
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cccnc1N
InChIInChI=1S/C12H20N4O3S/c1-15(2)7-9-6-10(17)8-16(9)20(18,19)11-4-3-5-14-12(11)13/h3-5,9-10,17H,6-8H2,1-2H3,(H2,13,14)
InChIKeyUKRPQSUUXCIDOP-UHFFFAOYSA-N
XLogP-0.65
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051432
1-[(2-amino-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65427807
1-(2-amino-4-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056980
1-(4-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056572
1-(5-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055391
1-(5-amino-2-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056778
5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66052921
1-[3-(aminomethyl)phenyl]sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056012
1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055590
3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156935
5-[(dimethylamino)methyl]-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66051820
1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053365

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66056977) is 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)c1cccnc1N.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is UKRPQSUUXCIDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15(2)7-9-6-10(17)8-16(9)20(18,19)11-4-3-5-14-12(11)13/h3-5,9-10,17H,6-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 300.38 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).