N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C12H19N3O2S — CID 5268153

IUPACN-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCC(C)Nc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H19N3O2S/c1-10(2)14-12-6-5-11(9-13-12)18(16,17)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyQNURHCXMJYIRCL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.69
Rot. Bonds4

About N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 5268153) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID5268153
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCC(C)Nc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H19N3O2S/c1-10(2)14-12-6-5-11(9-13-12)18(16,17)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyQNURHCXMJYIRCL-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol
CID 133400176
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133350405
N-[1-(4-methylmorpholin-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133386475
5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
CID 55827922
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133477635
3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 133490659

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 5268153) is N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is CC(C)Nc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is QNURHCXMJYIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10(2)14-12-6-5-11(9-13-12)18(16,17)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).