3-[4-(dimethylsulfamoylamino)butyl]pyridine

C11H19N3O2S — CID 110661318

IUPAC3-[4-(dimethylsulfamoylamino)butyl]pyridine
SMILESCN(C)S(=O)(=O)NCCCCc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-14(2)17(15,16)13-9-4-3-6-11-7-5-8-12-10-11/h5,7-8,10,13H,3-4,6,9H2,1-2H3
InChIKeyRLQGRLHQTNASRV-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.80
Rot. Bonds7

About 3-[4-(dimethylsulfamoylamino)butyl]pyridine

3-[4-(dimethylsulfamoylamino)butyl]pyridine (PubChem CID 110661318) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoylamino)butyl]pyridine.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoylamino)butyl]pyridine
PubChem CID110661318
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-[4-(dimethylsulfamoylamino)butyl]pyridine
SMILESCN(C)S(=O)(=O)NCCCCc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-14(2)17(15,16)13-9-4-3-6-11-7-5-8-12-10-11/h5,7-8,10,13H,3-4,6,9H2,1-2H3
InChIKeyRLQGRLHQTNASRV-UHFFFAOYSA-N
XLogP0.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 47171225
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
CID 110607154
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
CID 110667288
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoylamino)butyl]pyridine?
The IUPAC name of 3-[4-(dimethylsulfamoylamino)butyl]pyridine (CID 110661318) is 3-[4-(dimethylsulfamoylamino)butyl]pyridine.
What is the SMILES notation for 3-[4-(dimethylsulfamoylamino)butyl]pyridine?
The canonical SMILES for 3-[4-(dimethylsulfamoylamino)butyl]pyridine is CN(C)S(=O)(=O)NCCCCc1cccnc1.
What is the InChIKey of 3-[4-(dimethylsulfamoylamino)butyl]pyridine?
The InChIKey is RLQGRLHQTNASRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(2)17(15,16)13-9-4-3-6-11-7-5-8-12-10-11/h5,7-8,10,13H,3-4,6,9H2,1-2H3.
What are the key properties of 3-[4-(dimethylsulfamoylamino)butyl]pyridine?
3-[4-(dimethylsulfamoylamino)butyl]pyridine has a molecular weight of 257.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoylamino)butyl]pyridine is sourced from PubChem (CID 110661318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).