1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide

C10H21N3O3S — CID 54988855

IUPAC1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)CCCN
InChIInChI=1S/C10H21N3O3S/c1-8-3-4-9(10(12)14)7-13(8)17(15,16)6-2-5-11/h8-9H,2-7,11H2,1H3,(H2,12,14)
InChIKeyJQAHHQVXGOYIBP-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.75
Rot. Bonds5

About 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide

1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 54988855) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
PubChem CID54988855
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1S(=O)(=O)CCCN
InChIInChI=1S/C10H21N3O3S/c1-8-3-4-9(10(12)14)7-13(8)17(15,16)6-2-5-11/h8-9H,2-7,11H2,1H3,(H2,12,14)
InChIKeyJQAHHQVXGOYIBP-UHFFFAOYSA-N
XLogP-0.75
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyanomethylsulfonyl)-6-methylpiperidine-3-carboxamide
CID 55207510
1-(3-fluoropropylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122104299
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
(3R,6R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 95579009
1-(3,3-dimethylbutylsulfonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083362
1-but-3-enylsulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104288
1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 106266279
1-[2-cyanoethyl(methyl)sulfamoyl]-6-methylpiperidine-3-carboxamide
CID 60539893
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102778572
(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 129419068
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide (CID 54988855) is 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1S(=O)(=O)CCCN.
What is the InChIKey of 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is JQAHHQVXGOYIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-8-3-4-9(10(12)14)7-13(8)17(15,16)6-2-5-11/h8-9H,2-7,11H2,1H3,(H2,12,14).
What are the key properties of 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide?
1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylsulfonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54988855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).