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

Nicotine
CID 89594
Ethionamide
CID 2761171
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
5-Ethyl-2-methylpyridine
CID 7728
(-)-Anatabine
CID 11388
(R)-Nicotine
CID 157672
Lanicemine
CID 9794203
(R)-Nornicotine
CID 93047
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474
5-Hexyl-2-methyl pyridine
CID 522401

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).