N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H23N5O3S — CID 73168018

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H23N5O3S/c1-18(2)13-4-7-15-12(17-13)10-16-14(20)11-5-8-19(9-6-11)23(3,21)22/h4,7,11H,5-6,8-10H2,1-3H3,(H,16,20)
InChIKeyYANSISPFZJMWFX-UHFFFAOYSA-N
MW341.44 g/mol
LogP-0.17
Rot. Bonds5

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 73168018) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID73168018
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H23N5O3S/c1-18(2)13-4-7-15-12(17-13)10-16-14(20)11-5-8-19(9-6-11)23(3,21)22/h4,7,11H,5-6,8-10H2,1-3H3,(H,16,20)
InChIKeyYANSISPFZJMWFX-UHFFFAOYSA-N
XLogP-0.17
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 73168018) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is CN(C)c1ccnc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is YANSISPFZJMWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-18(2)13-4-7-15-12(17-13)10-16-14(20)11-5-8-19(9-6-11)23(3,21)22/h4,7,11H,5-6,8-10H2,1-3H3,(H,16,20).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 73168018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).