N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide

C19H27N3O2S — CID 113015430

IUPACN-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C19H27N3O2S/c1-3-4-14-22(2)19-13-12-18(16-20-19)21-25(23,24)15-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,16,21H,3-4,8,11,14-15H2,1-2H3
InChIKeyALQWAXSAMRFQMR-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.69
Rot. Bonds10

About N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide

N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113015430) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
PubChem CID113015430
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C19H27N3O2S/c1-3-4-14-22(2)19-13-12-18(16-20-19)21-25(23,24)15-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,16,21H,3-4,8,11,14-15H2,1-2H3
InChIKeyALQWAXSAMRFQMR-UHFFFAOYSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tripelennamine
CID 5587
11-Ethyl-6,8,9-trimethyl-pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 462253
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
Arylsulfonylpiperazine, 6
CID 44237014
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
Arylsulfonylpiperazine, 7
CID 44237015
Arylsulfonylpiperazine, 8
CID 44237016
Arylsulfonylpiperazine, 24
CID 44237027
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 118716417
4-(1-Pyridin-3-yl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145949366

Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide (CID 113015430) is N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide is CCCCN(C)c1ccc(NS(=O)(=O)CCCc2ccccc2)cn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is ALQWAXSAMRFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-4-14-22(2)19-13-12-18(16-20-19)21-25(23,24)15-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,16,21H,3-4,8,11,14-15H2,1-2H3.
What are the key properties of N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide?
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113015430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).