N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide

C12H25N3O2S — CID 54971958

IUPACN-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H25N3O2S/c1-11(10-15-7-2-3-8-15)14-18(16,17)12-5-4-6-13-9-12/h11-14H,2-10H2,1H3
InChIKeyPJUZZZUHSZSSHN-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds5

About N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide

N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide (PubChem CID 54971958) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide
PubChem CID54971958
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H25N3O2S/c1-11(10-15-7-2-3-8-15)14-18(16,17)12-5-4-6-13-9-12/h11-14H,2-10H2,1H3
InChIKeyPJUZZZUHSZSSHN-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide?
The IUPAC name of N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide (CID 54971958) is N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide?
The canonical SMILES for N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide is CC(CN1CCCC1)NS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide?
The InChIKey is PJUZZZUHSZSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11(10-15-7-2-3-8-15)14-18(16,17)12-5-4-6-13-9-12/h11-14H,2-10H2,1H3.
What are the key properties of N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide?
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 54971958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).