3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide

C15H27N5O3S — CID 120584705

IUPAC3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C15H27N5O3S/c1-11-15(12(2)19(3)18-11)24(22,23)20-9-5-4-6-13(20)10-17-14(21)7-8-16/h13H,4-10,16H2,1-3H3,(H,17,21)
InChIKeyAZIJFVWBBMMGBM-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.05
Rot. Bonds6

About 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide (PubChem CID 120584705) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
PubChem CID120584705
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C15H27N5O3S/c1-11-15(12(2)19(3)18-11)24(22,23)20-9-5-4-6-13(20)10-17-14(21)7-8-16/h13H,4-10,16H2,1-3H3,(H,17,21)
InChIKeyAZIJFVWBBMMGBM-UHFFFAOYSA-N
XLogP0.05
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584572
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768
2-(2-bromoethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 80671277
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
3-amino-N-[[1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120713493
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-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584507
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide
CID 120584445
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584411

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide (CID 120584705) is 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide?
The InChIKey is AZIJFVWBBMMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-11-15(12(2)19(3)18-11)24(22,23)20-9-5-4-6-13(20)10-17-14(21)7-8-16/h13H,4-10,16H2,1-3H3,(H,17,21).
What are the key properties of 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide has a molecular weight of 357.48 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120584705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).