N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide

C13H27N3O2S — CID 106317296

IUPACN,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCCCNCCCN(C)S(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C13H27N3O2S/c1-4-8-14-9-6-10-15(3)19(17,18)16-11-5-7-13(2)12-16/h7,14H,4-6,8-12H2,1-3H3
InChIKeyXTOJKSHQICCZLN-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.20
Rot. Bonds8

About N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide

N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 106317296) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID106317296
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC NameN,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCCCNCCCN(C)S(=O)(=O)N1CCC=C(C)C1
InChIInChI=1S/C13H27N3O2S/c1-4-8-14-9-6-10-15(3)19(17,18)16-11-5-7-13(2)12-16/h7,14H,4-6,8-12H2,1-3H3
InChIKeyXTOJKSHQICCZLN-UHFFFAOYSA-N
XLogP1.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[methyl-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]amino]propanoate
CID 106313446
3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 103541529
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]propan-1-amine
CID 106317293
3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 81463759
N-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethanamine
CID 106315322
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174
N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 106316846
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
CID 106317129
5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106070818
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 106317296) is N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide is CCCNCCCN(C)S(=O)(=O)N1CCC=C(C)C1.
What is the InChIKey of N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is XTOJKSHQICCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-4-8-14-9-6-10-15(3)19(17,18)16-11-5-7-13(2)12-16/h7,14H,4-6,8-12H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 289.45 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 106317296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).