3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride

C19H26ClN3O3S — CID 120584760

IUPAC3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H25N3O3S.ClH/c20-11-10-19(23)21-14-17-7-3-4-12-22(17)26(24,25)18-9-8-15-5-1-2-6-16(15)13-18;/h1-2,5-6,8-9,13,17H,3-4,7,10-12,14,20H2,(H,21,23);1H
InChIKeyLDVYWIBMPKEUEV-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.27
Rot. Bonds6

About 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride

3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride (PubChem CID 120584760) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride
PubChem CID120584760
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H25N3O3S.ClH/c20-11-10-19(23)21-14-17-7-3-4-12-22(17)26(24,25)18-9-8-15-5-1-2-6-16(15)13-18;/h1-2,5-6,8-9,13,17H,3-4,7,10-12,14,20H2,(H,21,23);1H
InChIKeyLDVYWIBMPKEUEV-UHFFFAOYSA-N
XLogP2.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584507
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700
3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584641
3-amino-N-[[1-(3-methyl-4-nitrophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584617
methyl 4-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]sulfonyl-2-methylbenzoate
CID 120584747
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768
3-amino-N-[[1-[4-(2-methoxyethyl)phenyl]sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584602
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579103

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride (CID 120584760) is 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride?
The InChIKey is LDVYWIBMPKEUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c20-11-10-19(23)21-14-17-7-3-4-12-22(17)26(24,25)18-9-8-15-5-1-2-6-16(15)13-18;/h1-2,5-6,8-9,13,17H,3-4,7,10-12,14,20H2,(H,21,23);1H.
What are the key properties of 3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride?
3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.27, 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-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120584760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).