N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C13H21N5O3S — CID 90648236

IUPACN-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCC(c2ccnc(N)n2)CC1
InChIInChI=1S/C13H21N5O3S/c1-9(17-22(2,20)21)12(19)18-7-4-10(5-8-18)11-3-6-15-13(14)16-11/h3,6,9-10,17H,4-5,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyQUOACZKECOGVJF-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.30
Rot. Bonds4

About N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 90648236) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID90648236
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCC(c2ccnc(N)n2)CC1
InChIInChI=1S/C13H21N5O3S/c1-9(17-22(2,20)21)12(19)18-7-4-10(5-8-18)11-3-6-15-13(14)16-11/h3,6,9-10,17H,4-5,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyQUOACZKECOGVJF-UHFFFAOYSA-N
XLogP-0.30
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450964
(2S)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450963
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 99979692
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 86285634
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 118779305
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 120820178
1-[2-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91782442

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 90648236) is N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(=O)N1CCC(c2ccnc(N)n2)CC1.
What is the InChIKey of N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is QUOACZKECOGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-9(17-22(2,20)21)12(19)18-7-4-10(5-8-18)11-3-6-15-13(14)16-11/h3,6,9-10,17H,4-5,7-8H2,1-2H3,(H2,14,15,16).
What are the key properties of N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 90648236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).