N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide

C12H25N3O2S — CID 24701097

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H25N3O2S/c1-2-15-8-4-5-11(15)9-14-18(16,17)12-6-3-7-13-10-12/h11-14H,2-10H2,1H3
InChIKeyUGQLRNMVTGRBSR-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide (PubChem CID 24701097) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide
PubChem CID24701097
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H25N3O2S/c1-2-15-8-4-5-11(15)9-14-18(16,17)12-6-3-7-13-10-12/h11-14H,2-10H2,1H3
InChIKeyUGQLRNMVTGRBSR-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-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide (CID 24701097) is N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide is CCN1CCCC1CNS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide?
The InChIKey is UGQLRNMVTGRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-2-15-8-4-5-11(15)9-14-18(16,17)12-6-3-7-13-10-12/h11-14H,2-10H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]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-ethylpyrrolidin-2-yl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 24701097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).