N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide

C10H17N5O2S — CID 3522991

IUPACN,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H17N5O2S/c1-13(2)18(16,17)15-8-6-14(7-9-15)10-11-4-3-5-12-10/h3-5H,6-9H2,1-2H3
InChIKeyIMNYTTPYTYHSJH-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.60
Rot. Bonds3

About N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide

N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide (PubChem CID 3522991) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
PubChem CID3522991
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H17N5O2S/c1-13(2)18(16,17)15-8-6-14(7-9-15)10-11-4-3-5-12-10/h3-5H,6-9H2,1-2H3
InChIKeyIMNYTTPYTYHSJH-UHFFFAOYSA-N
XLogP-0.60
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide (CID 3522991) is N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The InChIKey is IMNYTTPYTYHSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-13(2)18(16,17)15-8-6-14(7-9-15)10-11-4-3-5-12-10/h3-5H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide has a molecular weight of 271.35 g/mol, XLogP of -0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 3522991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).