N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide

C12H21N5O2S — CID 163352763

IUPACN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide
SMILESCN(C)c1ccnc(N2CCCC(NS(C)(=O)=O)C2)n1
InChIInChI=1S/C12H21N5O2S/c1-16(2)11-6-7-13-12(14-11)17-8-4-5-10(9-17)15-20(3,18)19/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyVUGMXOBLQFGCMJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.06
Rot. Bonds4

About N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide

N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 163352763) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide
PubChem CID163352763
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide
SMILESCN(C)c1ccnc(N2CCCC(NS(C)(=O)=O)C2)n1
InChIInChI=1S/C12H21N5O2S/c1-16(2)11-6-7-13-12(14-11)17-8-4-5-10(9-17)15-20(3,18)19/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyVUGMXOBLQFGCMJ-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

N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354148
2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 126892620
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
N-cyclopropyl-4-[4-(dimethylamino)pyrimidin-2-yl]morpholine-2-carboxamide
CID 163352589
N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
CID 133371214
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350937
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide (CID 163352763) is N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide is CN(C)c1ccnc(N2CCCC(NS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide?
The InChIKey is VUGMXOBLQFGCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-16(2)11-6-7-13-12(14-11)17-8-4-5-10(9-17)15-20(3,18)19/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide?
N-[1-[4-(dimethylamino)pyrimidin-2-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-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 163352763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).