(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol

C9H13N3O4S — CID 107213209

IUPAC(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
SMILESNc1ncccc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H13N3O4S/c10-9-8(2-1-3-11-9)17(15,16)12-4-6(13)7(14)5-12/h1-3,6-7,13-14H,4-5H2,(H2,10,11)/t6-,7+
InChIKeyWQPRFLMWMKKYJR-KNVOCYPGSA-N
MW259.29 g/mol
LogP-1.61
Rot. Bonds2

About (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol

(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol (PubChem CID 107213209) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
PubChem CID107213209
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
SMILESNc1ncccc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C9H13N3O4S/c10-9-8(2-1-3-11-9)17(15,16)12-4-6(13)7(14)5-12/h1-3,6-7,13-14H,4-5H2,(H2,10,11)/t6-,7+
InChIKeyWQPRFLMWMKKYJR-KNVOCYPGSA-N
XLogP-1.61
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79188499
1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 106670062
3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62992089
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
CID 65425898
3-(4-methoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 62145337
1-[(2-amino-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65427807
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63174974
methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 115533411
3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156935
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
CID 102725260
ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol (CID 107213209) is (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol is Nc1ncccc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol?
The InChIKey is WQPRFLMWMKKYJR-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H13N3O4S/c10-9-8(2-1-3-11-9)17(15,16)12-4-6(13)7(14)5-12/h1-3,6-7,13-14H,4-5H2,(H2,10,11)/t6-,7+.
What are the key properties of (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol has a molecular weight of 259.29 g/mol, XLogP of -1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 107213209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).