4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide

C11H25N3O2S — CID 54952393

IUPAC4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O2S/c1-2-14-8-5-6-11(14)10-13-17(15,16)9-4-3-7-12/h11,13H,2-10,12H2,1H3
InChIKeyMSSIRABTSUEAAQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.13
Rot. Bonds8

About 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide

4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide (PubChem CID 54952393) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide
PubChem CID54952393
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O2S/c1-2-14-8-5-6-11(14)10-13-17(15,16)9-4-3-7-12/h11,13H,2-10,12H2,1H3
InChIKeyMSSIRABTSUEAAQ-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
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 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide (CID 54952393) is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide is CCN1CCCC1CNS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is MSSIRABTSUEAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-2-14-8-5-6-11(14)10-13-17(15,16)9-4-3-7-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide?
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 54952393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).