N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C13H21N3O2S — CID 106027073

IUPACN-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC2CCCC2)nc1
InChIInChI=1S/C13H21N3O2S/c1-14-8-12-6-7-13(15-9-12)19(17,18)16-10-11-4-2-3-5-11/h6-7,9,11,14,16H,2-5,8,10H2,1H3
InChIKeyVSZRMDBKUYIUHZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.27
Rot. Bonds6

About N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106027073) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106027073
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC2CCCC2)nc1
InChIInChI=1S/C13H21N3O2S/c1-14-8-12-6-7-13(15-9-12)19(17,18)16-10-11-4-2-3-5-11/h6-7,9,11,14,16H,2-5,8,10H2,1H3
InChIKeyVSZRMDBKUYIUHZ-UHFFFAOYSA-N
XLogP1.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106026792
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-sulfonamide
CID 106094867
N-(1,4-dithian-2-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106078467
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
CID 106089544

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106027073) is N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCC2CCCC2)nc1.
What is the InChIKey of N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is VSZRMDBKUYIUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-8-12-6-7-13(15-9-12)19(17,18)16-10-11-4-2-3-5-11/h6-7,9,11,14,16H,2-5,8,10H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106027073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).