3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide

C10H19N3O2S — CID 66443623

IUPAC3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide
SMILESCCn1cccc1CNCCCS(N)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-2-13-7-3-5-10(13)9-12-6-4-8-16(11,14)15/h3,5,7,12H,2,4,6,8-9H2,1H3,(H2,11,14,15)
InChIKeyTTWOAJBJLSDJNG-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.28
Rot. Bonds7

About 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide

3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide (PubChem CID 66443623) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide
PubChem CID66443623
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide
SMILESCCn1cccc1CNCCCS(N)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-2-13-7-3-5-10(13)9-12-6-4-8-16(11,14)15/h3,5,7,12H,2,4,6,8-9H2,1H3,(H2,11,14,15)
InChIKeyTTWOAJBJLSDJNG-UHFFFAOYSA-N
XLogP0.28
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.28
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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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-methylsulfonylethanamine
CID 66411958
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 66444811
N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 66411495
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
N-[(1-ethylpyrrol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353222
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
CID 114139714
N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66411681

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide?
The IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide (CID 66443623) is 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide is CCn1cccc1CNCCCS(N)(=O)=O.
What is the InChIKey of 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide?
The InChIKey is TTWOAJBJLSDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-13-7-3-5-10(13)9-12-6-4-8-16(11,14)15/h3,5,7,12H,2,4,6,8-9H2,1H3,(H2,11,14,15).
What are the key properties of 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide?
3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide is sourced from PubChem (CID 66443623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).