N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

C14H22N4O2S — CID 56758748

IUPACN-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCc1ncc(CN2CCC(CNS(=O)(=O)C3CC3)C2)cn1
InChIInChI=1S/C14H22N4O2S/c1-11-15-6-13(7-16-11)10-18-5-4-12(9-18)8-17-21(19,20)14-2-3-14/h6-7,12,14,17H,2-5,8-10H2,1H3
InChIKeyJVTNPNVCWVTLKK-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.69
Rot. Bonds6

About N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 56758748) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID56758748
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESCc1ncc(CN2CCC(CNS(=O)(=O)C3CC3)C2)cn1
InChIInChI=1S/C14H22N4O2S/c1-11-15-6-13(7-16-11)10-18-5-4-12(9-18)8-17-21(19,20)14-2-3-14/h6-7,12,14,17H,2-5,8-10H2,1H3
InChIKeyJVTNPNVCWVTLKK-UHFFFAOYSA-N
XLogP0.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (CID 56758748) is N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is Cc1ncc(CN2CCC(CNS(=O)(=O)C3CC3)C2)cn1.
What is the InChIKey of N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is JVTNPNVCWVTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-11-15-6-13(7-16-11)10-18-5-4-12(9-18)8-17-21(19,20)14-2-3-14/h6-7,12,14,17H,2-5,8-10H2,1H3.
What are the key properties of N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 56758748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).