N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine

C15H21N5O2S — CID 155983583

IUPACN,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine
SMILESCN(C)Cc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C15H21N5O2S/c1-19(2)11-12-5-3-6-14(18-12)15-7-4-8-20(15)23(21,22)13-9-16-17-10-13/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,16,17)
InChIKeyUCQRBPJOFSTSBZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.39
Rot. Bonds5

About N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine

N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine (PubChem CID 155983583) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine
PubChem CID155983583
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine
SMILESCN(C)Cc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C15H21N5O2S/c1-19(2)11-12-5-3-6-14(18-12)15-7-4-8-20(15)23(21,22)13-9-16-17-10-13/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,16,17)
InChIKeyUCQRBPJOFSTSBZ-UHFFFAOYSA-N
XLogP1.39
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine (CID 155983583) is N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine is CN(C)Cc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)n1.
What is the InChIKey of N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine?
The InChIKey is UCQRBPJOFSTSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19(2)11-12-5-3-6-14(18-12)15-7-4-8-20(15)23(21,22)13-9-16-17-10-13/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine?
N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine has a molecular weight of 335.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 155983583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).