N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide

C13H21N5O3S — CID 122297890

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ncc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H21N5O3S/c1-17(2)13-14-8-11(9-15-13)16-12(19)10-4-6-18(7-5-10)22(3,20)21/h8-10H,4-7H2,1-3H3,(H,16,19)
InChIKeyTYDMBIPWSZDBBR-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.15
Rot. Bonds4

About N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 122297890) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID122297890
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ncc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H21N5O3S/c1-17(2)13-14-8-11(9-15-13)16-12(19)10-4-6-18(7-5-10)22(3,20)21/h8-10H,4-7H2,1-3H3,(H,16,19)
InChIKeyTYDMBIPWSZDBBR-UHFFFAOYSA-N
XLogP0.15
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122319866
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 51334705
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603263
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110726535
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19399779
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 55892029

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 122297890) is N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide is CN(C)c1ncc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is TYDMBIPWSZDBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-17(2)13-14-8-11(9-15-13)16-12(19)10-4-6-18(7-5-10)22(3,20)21/h8-10H,4-7H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 122297890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).