N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine

C13H18N6O2S — CID 95846105

IUPACN,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine
SMILESCN(C)c1cncc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C13H18N6O2S/c1-18(2)13-9-14-8-11(17-13)12-4-3-5-19(12)22(20,21)10-6-15-16-7-10/h6-9,12H,3-5H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyOTDBNVCXBZWOEY-GFCCVEGCSA-N
MW322.39 g/mol
LogP0.79
Rot. Bonds4

About N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine

N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine (PubChem CID 95846105) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine
PubChem CID95846105
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine
SMILESCN(C)c1cncc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C13H18N6O2S/c1-18(2)13-9-14-8-11(17-13)12-4-3-5-19(12)22(20,21)10-6-15-16-7-10/h6-9,12H,3-5H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyOTDBNVCXBZWOEY-GFCCVEGCSA-N
XLogP0.79
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[2-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117222
2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60928789
N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095695
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
1-(1H-pyrazol-4-ylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680697
N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036044
N,N-dimethyl-6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-amine
CID 95841163
[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]methanamine
CID 116640142
(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 124977694
2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124976327
N,N-dimethyl-6-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 124976389
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carboxylate
CID 54937182

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine (CID 95846105) is N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine is CN(C)c1cncc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1.
What is the InChIKey of N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine?
The InChIKey is OTDBNVCXBZWOEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-18(2)13-9-14-8-11(17-13)12-4-3-5-19(12)22(20,21)10-6-15-16-7-10/h6-9,12H,3-5H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine?
N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine has a molecular weight of 322.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2R)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 95846105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).