3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride

C15H22Cl3N3O3S — CID 120584768

IUPAC3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2N3O3S.ClH/c16-12-5-3-6-13(17)15(12)24(22,23)20-9-2-1-4-11(20)10-19-14(21)7-8-18;/h3,5-6,11H,1-2,4,7-10,18H2,(H,19,21);1H
InChIKeyUGTDXMNFGRAFRB-UHFFFAOYSA-N
MW430.79 g/mol
LogP2.42
Rot. Bonds6

About 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120584768) has the molecular formula C15H22Cl3N3O3S and a molecular weight of 430.79 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120584768
Molecular FormulaC15H22Cl3N3O3S
Molecular Weight430.79 g/mol
Exact Mass429.04
IUPAC Name3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2N3O3S.ClH/c16-12-5-3-6-13(17)15(12)24(22,23)20-9-2-1-4-11(20)10-19-14(21)7-8-18;/h3,5-6,11H,1-2,4,7-10,18H2,(H,19,21);1H
InChIKeyUGTDXMNFGRAFRB-UHFFFAOYSA-N
XLogP2.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.79
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride
CID 120584760
3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584572
3-amino-N-[[1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584481
3-amino-N-[[1-(2-cyano-3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584502
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584507
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705
3-amino-N-[[1-[4-(2-methoxyethyl)phenyl]sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584602
3-amino-N-[[1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120713493

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride (CID 120584768) is 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is UGTDXMNFGRAFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S.ClH/c16-12-5-3-6-13(17)15(12)24(22,23)20-9-2-1-4-11(20)10-19-14(21)7-8-18;/h3,5-6,11H,1-2,4,7-10,18H2,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 430.79 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120584768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).