N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide

C12H21N5O2S — CID 53185788

IUPACN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCN(C)c1cc(N2CCCC(NS(C)(=O)=O)C2)ncn1
InChIInChI=1S/C12H21N5O2S/c1-16(2)11-7-12(14-9-13-11)17-6-4-5-10(8-17)15-20(3,18)19/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyIORFIXVZWSAXTE-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.06
Rot. Bonds4

About N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide

N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 53185788) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
PubChem CID53185788
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCN(C)c1cc(N2CCCC(NS(C)(=O)=O)C2)ncn1
InChIInChI=1S/C12H21N5O2S/c1-16(2)11-7-12(14-9-13-11)17-6-4-5-10(8-17)15-20(3,18)19/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyIORFIXVZWSAXTE-UHFFFAOYSA-N
XLogP0.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(Pyrrolidin-1-YL)pyrimidin-4-YL]piperidin-3-amine
CID 53185814
2-[3-[[Cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
CID 47065159
4-N-ethyl-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50960313
N-[1-(2-pyrimidinyl)-3-piperidinyl]-1-azepanesulfonamide
CID 56899450
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(piperidin-1-yl)pyrimidine
CID 70703102
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
2-(Piperidin-1-yl)-4-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 70703711
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 71978146
N-[2-[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
CID 75379307
N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 110259041
N-{1-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-3-piperidyl}methanesulfonamide
CID 53185808
N',N'-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hexane-1,6-diamine
CID 53315797

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (CID 53185788) is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is CN(C)c1cc(N2CCCC(NS(C)(=O)=O)C2)ncn1.
What is the InChIKey of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The InChIKey is IORFIXVZWSAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-16(2)11-7-12(14-9-13-11)17-6-4-5-10(8-17)15-20(3,18)19/h7,9-10,15H,4-6,8H2,1-3H3.
What are the key properties of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 53185788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).