N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide

C11H19N5O2S — CID 122322703

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(C)c1ccnc(CNS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S/c1-15(2)11-5-6-12-10(14-11)9-13-19(17,18)16-7-3-4-8-16/h5-6,13H,3-4,7-9H2,1-2H3
InChIKeyZKWUBHOMIISIAT-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.03
Rot. Bonds5

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 122322703) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID122322703
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(C)c1ccnc(CNS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S/c1-15(2)11-5-6-12-10(14-11)9-13-19(17,18)16-7-3-4-8-16/h5-6,13H,3-4,7-9H2,1-2H3
InChIKeyZKWUBHOMIISIAT-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide (CID 122322703) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide is CN(C)c1ccnc(CNS(=O)(=O)N2CCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is ZKWUBHOMIISIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-15(2)11-5-6-12-10(14-11)9-13-19(17,18)16-7-3-4-8-16/h5-6,13H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 122322703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).