N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide

C14H29N3O2S — CID 106332903

IUPACN-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1CCCC1C1CCCCN1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)17-11-5-10-16-14-8-4-6-12(14)13-7-2-3-9-15-13/h12-17H,2-11H2,1H3
InChIKeyOFHYNSQLQCYEDK-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.83
Rot. Bonds7

About N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide

N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide (PubChem CID 106332903) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide
PubChem CID106332903
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1CCCC1C1CCCCN1
InChIInChI=1S/C14H29N3O2S/c1-20(18,19)17-11-5-10-16-14-8-4-6-12(14)13-7-2-3-9-15-13/h12-17H,2-11H2,1H3
InChIKeyOFHYNSQLQCYEDK-UHFFFAOYSA-N
XLogP0.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide (CID 106332903) is N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNC1CCCC1C1CCCCN1.
What is the InChIKey of N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide?
The InChIKey is OFHYNSQLQCYEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-20(18,19)17-11-5-10-16-14-8-4-6-12(14)13-7-2-3-9-15-13/h12-17H,2-11H2,1H3.
What are the key properties of N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide?
N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).