N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide

C12H25N3O2S — CID 54949690

IUPACN-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CCC2CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-15-8-4-12(10-15)14-18(16,17)9-5-11-2-6-13-7-3-11/h11-14H,2-10H2,1H3
InChIKeyGDHMERQINOWENX-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.00
Rot. Bonds5

About N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide

N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 54949690) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide
PubChem CID54949690
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CCC2CCNCC2)C1
InChIInChI=1S/C12H25N3O2S/c1-15-8-4-12(10-15)14-18(16,17)9-5-11-2-6-13-7-3-11/h11-14H,2-10H2,1H3
InChIKeyGDHMERQINOWENX-UHFFFAOYSA-N
XLogP-0.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide (CID 54949690) is N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide is CN1CCC(NS(=O)(=O)CCC2CCNCC2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is GDHMERQINOWENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-15-8-4-12(10-15)14-18(16,17)9-5-11-2-6-13-7-3-11/h11-14H,2-10H2,1H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide?
N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 54949690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).