2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide

C14H24N4O2S — CID 106594162

IUPAC2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2cccnc2CN)CC1
InChIInChI=1S/C14H24N4O2S/c1-2-8-18-9-5-12(6-10-18)17-21(19,20)14-4-3-7-16-13(14)11-15/h3-4,7,12,17H,2,5-6,8-11,15H2,1H3
InChIKeyWKEJXEOXGJMLBB-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.69
Rot. Bonds6

About 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide (PubChem CID 106594162) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide
PubChem CID106594162
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2cccnc2CN)CC1
InChIInChI=1S/C14H24N4O2S/c1-2-8-18-9-5-12(6-10-18)17-21(19,20)14-4-3-7-16-13(14)11-15/h3-4,7,12,17H,2,5-6,8-11,15H2,1H3
InChIKeyWKEJXEOXGJMLBB-UHFFFAOYSA-N
XLogP0.69
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-(2-Pyridylmethyl)piperazine-1-ethylamine
CID 81406
N-3-Pyridylbenzenesulfonamide
CID 339079
N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
4-Ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10608635

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide (CID 106594162) is 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide is CCCN1CCC(NS(=O)(=O)c2cccnc2CN)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide?
The InChIKey is WKEJXEOXGJMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-2-8-18-9-5-12(6-10-18)17-21(19,20)14-4-3-7-16-13(14)11-15/h3-4,7,12,17H,2,5-6,8-11,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).