2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide

C14H22N3O2S+ — CID 9444116

IUPAC2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
SMILESCC1CC[NH+]([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1
InChIInChI=1S/C14H21N3O2S/c1-9-3-6-17(7-4-9)10(2)13(19)16-14-11(12(15)18)5-8-20-14/h5,8-10H,3-4,6-7H2,1-2H3,(H2,15,18)(H,16,19)/p+1/t10-/m1/s1
InChIKeyAJFYKBKCUWLYLB-SNVBAGLBSA-O
MW296.42 g/mol
LogP0.49
Rot. Bonds4

About 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 9444116) has the molecular formula C14H22N3O2S+ and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
PubChem CID9444116
Molecular FormulaC14H22N3O2S+
Molecular Weight296.42 g/mol
Exact Mass296.14
IUPAC Name2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
SMILESCC1CC[NH+]([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1
InChIInChI=1S/C14H21N3O2S/c1-9-3-6-17(7-4-9)10(2)13(19)16-14-11(12(15)18)5-8-20-14/h5,8-10H,3-4,6-7H2,1-2H3,(H2,15,18)(H,16,19)/p+1/t10-/m1/s1
InChIKeyAJFYKBKCUWLYLB-SNVBAGLBSA-O
XLogP0.49
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 40820681
2-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 8514010
(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9443950
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
trans-(1S,2S)-2-[(3-carbamoylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623444
(2R)-N-(3-cyanothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9275051
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 33325651

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide (CID 9444116) is 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide is CC1CC[NH+]([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1.
What is the InChIKey of 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is AJFYKBKCUWLYLB-SNVBAGLBSA-O. The full InChI is InChI=1S/C14H21N3O2S/c1-9-3-6-17(7-4-9)10(2)13(19)16-14-11(12(15)18)5-8-20-14/h5,8-10H,3-4,6-7H2,1-2H3,(H2,15,18)(H,16,19)/p+1/t10-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9444116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).