N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide

C14H24N4O2S — CID 56745962

IUPACN-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)c1nccc(CN2CCC(CNS(C)(=O)=O)C2)n1
InChIInChI=1S/C14H24N4O2S/c1-11(2)14-15-6-4-13(17-14)10-18-7-5-12(9-18)8-16-21(3,19)20/h4,6,11-12,16H,5,7-10H2,1-3H3
InChIKeyJVAVOLMGGBGBNZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.97
Rot. Bonds6

About N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide

N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 56745962) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID56745962
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)c1nccc(CN2CCC(CNS(C)(=O)=O)C2)n1
InChIInChI=1S/C14H24N4O2S/c1-11(2)14-15-6-4-13(17-14)10-18-7-5-12(9-18)8-16-21(3,19)20/h4,6,11-12,16H,5,7-10H2,1-3H3
InChIKeyJVAVOLMGGBGBNZ-UHFFFAOYSA-N
XLogP0.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide (CID 56745962) is N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is CC(C)c1nccc(CN2CCC(CNS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is JVAVOLMGGBGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11(2)14-15-6-4-13(17-14)10-18-7-5-12(9-18)8-16-21(3,19)20/h4,6,11-12,16H,5,7-10H2,1-3H3.
What are the key properties of N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56745962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).