3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide

C11H23N3O3S — CID 79994515

IUPAC3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
SMILESCC1CC(N)CN(CCS(=O)(=O)CCC(N)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-9-6-10(12)8-14(7-9)3-5-18(16,17)4-2-11(13)15/h9-10H,2-8,12H2,1H3,(H2,13,15)
InChIKeyCBBPVEYLHIKWTF-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.05
Rot. Bonds6

About 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide

3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide (PubChem CID 79994515) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
PubChem CID79994515
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
SMILESCC1CC(N)CN(CCS(=O)(=O)CCC(N)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-9-6-10(12)8-14(7-9)3-5-18(16,17)4-2-11(13)15/h9-10H,2-8,12H2,1H3,(H2,13,15)
InChIKeyCBBPVEYLHIKWTF-UHFFFAOYSA-N
XLogP-1.05
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide
CID 79994371
3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 62370835
3-(3-amino-5-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79994375
N-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]acetamide
CID 79993303
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
5-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine
CID 79993699
5-methyl-1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 79992771
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide (CID 79994515) is 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide is CC1CC(N)CN(CCS(=O)(=O)CCC(N)=O)C1.
What is the InChIKey of 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide?
The InChIKey is CBBPVEYLHIKWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-9-6-10(12)8-14(7-9)3-5-18(16,17)4-2-11(13)15/h9-10H,2-8,12H2,1H3,(H2,13,15).
What are the key properties of 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide?
3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide has a molecular weight of 277.39 g/mol, XLogP of -1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide is sourced from PubChem (CID 79994515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).