3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine

C11H17N3O2S — CID 79188499

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2cccnc2N)CC1C
InChIInChI=1S/C11H17N3O2S/c1-8-6-14(7-9(8)2)17(15,16)10-4-3-5-13-11(10)12/h3-5,8-9H,6-7H2,1-2H3,(H2,12,13)
InChIKeyMSCGHOCNNBACGQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.94
Rot. Bonds2

About 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine

3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 79188499) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID79188499
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2cccnc2N)CC1C
InChIInChI=1S/C11H17N3O2S/c1-8-6-14(7-9(8)2)17(15,16)10-4-3-5-13-11(10)12/h3-5,8-9H,6-7H2,1-2H3,(H2,12,13)
InChIKeyMSCGHOCNNBACGQ-UHFFFAOYSA-N
XLogP0.94
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 107213209
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62992089
3-(4-methoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 62145337
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63174974
3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156935
methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 115533411
[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
CID 65425898
3-(3,4-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106546645
2-(3,4-dimethylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 103307665
2-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923261
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
CID 102725260

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 79188499) is 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine is CC1CN(S(=O)(=O)c2cccnc2N)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is MSCGHOCNNBACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-6-14(7-9(8)2)17(15,16)10-4-3-5-13-11(10)12/h3-5,8-9H,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine?
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 255.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 79188499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).