2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C19H30N3O3S+ — CID 8903505

IUPAC2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1
InChIInChI=1S/C19H29N3O3S/c1-16-7-6-10-21(14-16)15-19(23)20-17-8-5-9-18(13-17)26(24,25)22-11-3-2-4-12-22/h5,8-9,13,16H,2-4,6-7,10-12,14-15H2,1H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeyWSZYKSMUEFTJOY-INIZCTEOSA-O
MW380.53 g/mol
LogP1.11
Rot. Bonds5

About 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8903505) has the molecular formula C19H30N3O3S+ and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID8903505
Molecular FormulaC19H30N3O3S+
Molecular Weight380.53 g/mol
Exact Mass380.20
IUPAC Name2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1
InChIInChI=1S/C19H29N3O3S/c1-16-7-6-10-21(14-16)15-19(23)20-17-8-5-9-18(13-17)26(24,25)22-11-3-2-4-12-22/h5,8-9,13,16H,2-4,6-7,10-12,14-15H2,1H3,(H,20,23)/p+1/t16-/m0/s1
InChIKeyWSZYKSMUEFTJOY-INIZCTEOSA-O
XLogP1.11
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903503
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7116551
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8973090
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 8903505) is 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is C[C@H]1CCC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WSZYKSMUEFTJOY-INIZCTEOSA-O. The full InChI is InChI=1S/C19H29N3O3S/c1-16-7-6-10-21(14-16)15-19(23)20-17-8-5-9-18(13-17)26(24,25)22-11-3-2-4-12-22/h5,8-9,13,16H,2-4,6-7,10-12,14-15H2,1H3,(H,20,23)/p+1/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 380.53 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8903505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).