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

C19H31N3O3S — CID 120584507

IUPAC3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
SMILESCCc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)CCN)cc1CC
InChIInChI=1S/C19H31N3O3S/c1-3-15-8-9-18(13-16(15)4-2)26(24,25)22-12-6-5-7-17(22)14-21-19(23)10-11-20/h8-9,13,17H,3-7,10-12,14,20H2,1-2H3,(H,21,23)
InChIKeyCBGTWZBMAUZWBE-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.82
Rot. Bonds8

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

3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide (PubChem CID 120584507) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
PubChem CID120584507
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
SMILESCCc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)CCN)cc1CC
InChIInChI=1S/C19H31N3O3S/c1-3-15-8-9-18(13-16(15)4-2)26(24,25)22-12-6-5-7-17(22)14-21-19(23)10-11-20/h8-9,13,17H,3-7,10-12,14,20H2,1-2H3,(H,21,23)
InChIKeyCBGTWZBMAUZWBE-UHFFFAOYSA-N
XLogP1.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584641
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-(3-methyl-4-nitrophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584617
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700
methyl 4-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]sulfonyl-2-methylbenzoate
CID 120584747
3-amino-N-[[1-[4-(2-methoxyethyl)phenyl]sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584602
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
3-amino-N-[[1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584481
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide (CID 120584507) is 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide is CCc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)CCN)cc1CC.
What is the InChIKey of 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
The InChIKey is CBGTWZBMAUZWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-15-8-9-18(13-16(15)4-2)26(24,25)22-12-6-5-7-17(22)14-21-19(23)10-11-20/h8-9,13,17H,3-7,10-12,14,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide has a molecular weight of 381.54 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120584507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).