3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine

C8H16N2O2S — CID 156527456

IUPAC3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine
SMILESCC1=CCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C8H16N2O2S/c1-8-3-5-10(7-8)13(11,12)6-2-4-9/h3H,2,4-7,9H2,1H3
InChIKeyDHSSWKSNMDRKJF-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.07
Rot. Bonds4

About 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine

3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine (PubChem CID 156527456) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine.

Molecular Properties

Compound Name3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine
PubChem CID156527456
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine
SMILESCC1=CCN(S(=O)(=O)CCCN)C1
InChIInChI=1S/C8H16N2O2S/c1-8-3-5-10(7-8)13(11,12)6-2-4-9/h3H,2,4-7,9H2,1H3
InChIKeyDHSSWKSNMDRKJF-UHFFFAOYSA-N
XLogP-0.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine?
The IUPAC name of 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine (CID 156527456) is 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine.
What is the SMILES notation for 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine?
The canonical SMILES for 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine is CC1=CCN(S(=O)(=O)CCCN)C1.
What is the InChIKey of 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine?
The InChIKey is DHSSWKSNMDRKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-8-3-5-10(7-8)13(11,12)6-2-4-9/h3H,2,4-7,9H2,1H3.
What are the key properties of 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine?
3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine has a molecular weight of 204.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2,5-dihydropyrrol-1-yl)sulfonyl]propan-1-amine is sourced from PubChem (CID 156527456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).