N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide

C10H15N3O2S — CID 91055604

IUPACN-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CCCC#N)[nH]1
InChIInChI=1S/C10H15N3O2S/c1-2-16(14,15)13-10-7-6-9(12-10)5-3-4-8-11/h6-7,12-13H,2-5H2,1H3
InChIKeyOXSSGZJKRHHYLX-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.62
Rot. Bonds6

About N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide

N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide (PubChem CID 91055604) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide
PubChem CID91055604
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CCCC#N)[nH]1
InChIInChI=1S/C10H15N3O2S/c1-2-16(14,15)13-10-7-6-9(12-10)5-3-4-8-11/h6-7,12-13H,2-5H2,1H3
InChIKeyOXSSGZJKRHHYLX-UHFFFAOYSA-N
XLogP1.62
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile
CID 44604946
16-(5-formyl-1H-pyrrol-2-yl)hexadecanenitrile
CID 44604945
N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 3668419
5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile
CID 57254467
22-(5-formyl-1H-pyrrol-2-yl)docos-8-enenitrile
CID 75079686
(Z)-24-(5-formyl-1H-pyrrol-2-yl)tetracos-8-enenitrile
CID 44604942
(6Z,9Z)-21-(5-formyl-1H-pyrrol-2-yl)henicosa-6,9-dienenitrile
CID 46186992
3-cyano-N-[1-(4-ethylphenyl)ethyl]propane-1-sulfonamide
CID 56787518
3-cyano-N-[(2R)-1-phenylbutan-2-yl]propane-1-sulfonamide
CID 95621949
4-(5-methoxy-1-oxo-2H-isoquinolin-3-yl)butanenitrile
CID 139179971
2-(5-butyl-1H-imidazol-2-yl)acetonitrile
CID 139638444
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide (CID 91055604) is N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(CCCC#N)[nH]1.
What is the InChIKey of N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide?
The InChIKey is OXSSGZJKRHHYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-16(14,15)13-10-7-6-9(12-10)5-3-4-8-11/h6-7,12-13H,2-5H2,1H3.
What are the key properties of N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide?
N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide has a molecular weight of 241.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide is sourced from PubChem (CID 91055604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).