N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide

C13H20N4O2S — CID 71779881

IUPACN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCN(c2ncccn2)CC1)C1CC1
InChIInChI=1S/C13H20N4O2S/c18-20(19,12-2-3-12)16-10-11-4-8-17(9-5-11)13-14-6-1-7-15-13/h1,6-7,11-12,16H,2-5,8-10H2
InChIKeyRSNZNNGNHYXTAL-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.77
Rot. Bonds5

About N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide

N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide (PubChem CID 71779881) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide
PubChem CID71779881
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCN(c2ncccn2)CC1)C1CC1
InChIInChI=1S/C13H20N4O2S/c18-20(19,12-2-3-12)16-10-11-4-8-17(9-5-11)13-14-6-1-7-15-13/h1,6-7,11-12,16H,2-5,8-10H2
InChIKeyRSNZNNGNHYXTAL-UHFFFAOYSA-N
XLogP0.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide (CID 71779881) is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCC1CCN(c2ncccn2)CC1)C1CC1.
What is the InChIKey of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide?
The InChIKey is RSNZNNGNHYXTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c18-20(19,12-2-3-12)16-10-11-4-8-17(9-5-11)13-14-6-1-7-15-13/h1,6-7,11-12,16H,2-5,8-10H2.
What are the key properties of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide?
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 71779881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).