N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide

C12H19N3O2S — CID 122560877

IUPACN-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1cccnc1C(C)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-10-6-5-7-13-12(10)11(2)14-18(16,17)15-8-3-4-9-15/h5-7,11,14H,3-4,8-9H2,1-2H3
InChIKeyMVVCPLWAZHKQAG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide

N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 122560877) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID122560877
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1cccnc1C(C)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-10-6-5-7-13-12(10)11(2)14-18(16,17)15-8-3-4-9-15/h5-7,11,14H,3-4,8-9H2,1-2H3
InChIKeyMVVCPLWAZHKQAG-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]methanesulfonamide
CID 125447729
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
CID 30288270
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47027427
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297985
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 131890540
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 125442093
N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide
CID 131895144
N-[(1S)-1-pyridin-3-ylethyl]morpholine-4-sulfonamide
CID 94177903
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide (CID 122560877) is N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide is Cc1cccnc1C(C)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is MVVCPLWAZHKQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-6-5-7-13-12(10)11(2)14-18(16,17)15-8-3-4-9-15/h5-7,11,14H,3-4,8-9H2,1-2H3.
What are the key properties of N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 122560877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).