N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H24N6O2S — CID 134537050

IUPACN-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)[C@@H]1CCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C16H24N6O2S/c1-20(16-14-5-7-17-15(14)18-12-19-16)13-6-10-22(11-13)25(23,24)21-8-3-2-4-9-21/h5,7,12-13H,2-4,6,8-11H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyPDGMUYOWMMAPOK-CYBMUJFWSA-N
MW364.48 g/mol
LogP1.20
Rot. Bonds4

About N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134537050) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134537050
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC NameN-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)[C@@H]1CCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C16H24N6O2S/c1-20(16-14-5-7-17-15(14)18-12-19-16)13-6-10-22(11-13)25(23,24)21-8-3-2-4-9-21/h5,7,12-13H,2-4,6,8-11H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyPDGMUYOWMMAPOK-CYBMUJFWSA-N
XLogP1.20
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 134537050) is N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)[C@@H]1CCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PDGMUYOWMMAPOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-20(16-14-5-7-17-15(14)18-12-19-16)13-6-10-22(11-13)25(23,24)21-8-3-2-4-9-21/h5,7,12-13H,2-4,6,8-11H2,1H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 364.48 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134537050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).