N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine

C15H31N3O2S — CID 110630173

IUPACN-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine
SMILESCC(C)CN1CCC(CNS(=O)(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)12-18-9-7-14(8-10-18)11-16-21(19,20)17-15-5-3-4-6-15/h13-17H,3-12H2,1-2H3
InChIKeyOWYKFOFZHUZORF-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds7

About N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine

N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine (PubChem CID 110630173) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine
PubChem CID110630173
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine
SMILESCC(C)CN1CCC(CNS(=O)(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)12-18-9-7-14(8-10-18)11-16-21(19,20)17-15-5-3-4-6-15/h13-17H,3-12H2,1-2H3
InChIKeyOWYKFOFZHUZORF-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine?
The IUPAC name of N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine (CID 110630173) is N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine is CC(C)CN1CCC(CNS(=O)(=O)NC2CCCC2)CC1.
What is the InChIKey of N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine?
The InChIKey is OWYKFOFZHUZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-13(2)12-18-9-7-14(8-10-18)11-16-21(19,20)17-15-5-3-4-6-15/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine?
N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine has a molecular weight of 317.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]cyclopentanamine is sourced from PubChem (CID 110630173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).