3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide

C17H27N3O5S — CID 120584641

IUPAC3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)CCN)cc1OC
InChIInChI=1S/C17H27N3O5S/c1-24-15-7-6-14(11-16(15)25-2)26(22,23)20-10-4-3-5-13(20)12-19-17(21)8-9-18/h6-7,11,13H,3-5,8-10,12,18H2,1-2H3,(H,19,21)
InChIKeyUTTKLCPNLOTDGG-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.71
Rot. Bonds8

About 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide (PubChem CID 120584641) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
PubChem CID120584641
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)CCN)cc1OC
InChIInChI=1S/C17H27N3O5S/c1-24-15-7-6-14(11-16(15)25-2)26(22,23)20-10-4-3-5-13(20)12-19-17(21)8-9-18/h6-7,11,13H,3-5,8-10,12,18H2,1-2H3,(H,19,21)
InChIKeyUTTKLCPNLOTDGG-UHFFFAOYSA-N
XLogP0.71
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584507
methyl 4-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]sulfonyl-2-methylbenzoate
CID 120584747
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
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-[4-(2-methoxyethyl)phenyl]sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584602
3-amino-N-[[1-(3-methyl-4-nitrophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584617
3-amino-N-[[1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120713493
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
methyl 3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120584596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide (CID 120584641) is 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide is COc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)CCN)cc1OC.
What is the InChIKey of 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
The InChIKey is UTTKLCPNLOTDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-24-15-7-6-14(11-16(15)25-2)26(22,23)20-10-4-3-5-13(20)12-19-17(21)8-9-18/h6-7,11,13H,3-5,8-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide has a molecular weight of 385.49 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120584641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).