3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide

C15H23N3O3S — CID 120584763

IUPAC3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c16-10-9-15(19)17-12-13-6-4-5-11-18(13)22(20,21)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12,16H2,(H,17,19)
InChIKeyBBYLJGWJWROSAV-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.69
Rot. Bonds6

About 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120584763) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120584763
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c16-10-9-15(19)17-12-13-6-4-5-11-18(13)22(20,21)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12,16H2,(H,17,19)
InChIKeyBBYLJGWJWROSAV-UHFFFAOYSA-N
XLogP0.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.69
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-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride
CID 120584760
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700
3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584507
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-(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-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
CID 18574773
3-amino-N-[[1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide (CID 120584763) is 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is BBYLJGWJWROSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c16-10-9-15(19)17-12-13-6-4-5-11-18(13)22(20,21)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12,16H2,(H,17,19).
What are the key properties of 3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 325.43 g/mol, XLogP of 0.69, 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-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120584763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).