N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide

C11H18N4O2S — CID 73439009

IUPACN,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-14(2)18(16,17)15-7-4-10(5-8-15)11-3-6-12-9-13-11/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyVMAGURLIRYAIAP-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.46
Rot. Bonds3

About N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide

N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide (PubChem CID 73439009) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide
PubChem CID73439009
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-14(2)18(16,17)15-7-4-10(5-8-15)11-3-6-12-9-13-11/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyVMAGURLIRYAIAP-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclopropylpyrimidin-2-amine
CID 3299593
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 90054668
4-(1-Methylsulfonylpiperidin-4-yl)pyrimidine
CID 95805182
4-Isobutylpyrimidine
CID 565104
4-Cyclohexylpyrimidine
CID 11672715
4-(Propan-2-yl)pyrimidin-2-amine
CID 14639241
4-(Piperidin-4-yl)pyrimidine
CID 17894842
2-Chloro-4-isopropylpyrimidine
CID 24901916
2-Bromo-4-(propan-2-yl)pyrimidine
CID 49758249

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide (CID 73439009) is N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2ccncn2)CC1.
What is the InChIKey of N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide?
The InChIKey is VMAGURLIRYAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-14(2)18(16,17)15-7-4-10(5-8-15)11-3-6-12-9-13-11/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide?
N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 73439009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).