N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide

C8H17N3O2S — CID 106336590

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1=NCCC1
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)11-7-3-6-10-8-4-2-5-9-8/h11H,2-7H2,1H3,(H,9,10)
InChIKeyLHOUACGEOURJLW-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.29
Rot. Bonds5

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide (PubChem CID 106336590) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide
PubChem CID106336590
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1=NCCC1
InChIInChI=1S/C8H17N3O2S/c1-14(12,13)11-7-3-6-10-8-4-2-5-9-8/h11H,2-7H2,1H3,(H,9,10)
InChIKeyLHOUACGEOURJLW-UHFFFAOYSA-N
XLogP-0.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.29
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 N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide (CID 106336590) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNC1=NCCC1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide?
The InChIKey is LHOUACGEOURJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-14(12,13)11-7-3-6-10-8-4-2-5-9-8/h11H,2-7H2,1H3,(H,9,10).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide has a molecular weight of 219.31 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).