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

C7H15N3O2S — CID 79507906

IUPACN-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1=NCCC1
InChIInChI=1S/C7H15N3O2S/c1-13(11,12)10-6-5-9-7-3-2-4-8-7/h10H,2-6H2,1H3,(H,8,9)
InChIKeyCBOAUBCVPFMWJM-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.68
Rot. Bonds4

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

N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide (PubChem CID 79507906) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide
PubChem CID79507906
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC NameN-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1=NCCC1
InChIInChI=1S/C7H15N3O2S/c1-13(11,12)10-6-5-9-7-3-2-4-8-7/h10H,2-6H2,1H3,(H,8,9)
InChIKeyCBOAUBCVPFMWJM-UHFFFAOYSA-N
XLogP-0.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.68
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-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide (CID 79507906) is N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1=NCCC1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide?
The InChIKey is CBOAUBCVPFMWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-13(11,12)10-6-5-9-7-3-2-4-8-7/h10H,2-6H2,1H3,(H,8,9).
What are the key properties of N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide?
N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide has a molecular weight of 205.28 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 79507906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).