3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine

C14H26N4O2S — CID 106021144

IUPAC3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
SMILESCC(C)NCCCN(C)S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C14H26N4O2S/c1-12(2)16-9-6-10-18(4)21(19,20)17-13(3)14-7-5-8-15-11-14/h5,7-8,11-13,16-17H,6,9-10H2,1-4H3
InChIKeyHJAUXKBHEJXRTN-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.30
Rot. Bonds9

About 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine

3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine (PubChem CID 106021144) has the molecular formula C14H26N4O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine.

Molecular Properties

Compound Name3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
PubChem CID106021144
Molecular FormulaC14H26N4O2S
Molecular Weight314.45 g/mol
Exact Mass314.18
IUPAC Name3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
SMILESCC(C)NCCCN(C)S(=O)(=O)NC(C)c1cccnc1
InChIInChI=1S/C14H26N4O2S/c1-12(2)16-9-6-10-18(4)21(19,20)17-13(3)14-7-5-8-15-11-14/h5,7-8,11-13,16-17H,6,9-10H2,1-4H3
InChIKeyHJAUXKBHEJXRTN-UHFFFAOYSA-N
XLogP1.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
3-[1-[bis(3-methylbutyl)sulfamoylamino]ethyl]pyridine
CID 55989545
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
CID 106003836
tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
1,2-dichloro-4-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106059485
1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene
CID 106000708
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine?
The IUPAC name of 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine (CID 106021144) is 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine.
What is the SMILES notation for 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine?
The canonical SMILES for 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine is CC(C)NCCCN(C)S(=O)(=O)NC(C)c1cccnc1.
What is the InChIKey of 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine?
The InChIKey is HJAUXKBHEJXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-12(2)16-9-6-10-18(4)21(19,20)17-13(3)14-7-5-8-15-11-14/h5,7-8,11-13,16-17H,6,9-10H2,1-4H3.
What are the key properties of 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine?
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine has a molecular weight of 314.45 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine is sourced from PubChem (CID 106021144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).