2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride

C17H28ClN3O3S — CID 119765108

IUPAC2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(12-18-2)17(21)19-13-15-7-6-8-16(11-15)24(22,23)20-9-4-3-5-10-20;/h6-8,11,14,18H,3-5,9-10,12-13H2,1-2H3,(H,19,21);1H
InChIKeySFMIFJRRKDAFCK-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.75
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride (PubChem CID 119765108) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
PubChem CID119765108
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(12-18-2)17(21)19-13-15-7-6-8-16(11-15)24(22,23)20-9-4-3-5-10-20;/h6-8,11,14,18H,3-5,9-10,12-13H2,1-2H3,(H,19,21);1H
InChIKeySFMIFJRRKDAFCK-UHFFFAOYSA-N
XLogP1.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119735907
cis-(1R,2S)-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 95285827
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
1-(2-ethylbutyl)-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111891807
4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 119312860
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
CID 60621896
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 33013667
1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 70680204
2-methyl-1-[(3-piperidin-1-ylsulfonylphenyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703701
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride (CID 119765108) is 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride is CNCC(C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is SFMIFJRRKDAFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-14(12-18-2)17(21)19-13-15-7-6-8-16(11-15)24(22,23)20-9-4-3-5-10-20;/h6-8,11,14,18H,3-5,9-10,12-13H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119765108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).