N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide

C11H21N3O2S — CID 75500248

IUPACN-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCn1ccnc1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-4-17(15,16)13-6-5-8-14-9-7-12-11(14)10(2)3/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyFNHBKRBOZJMEIF-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.34
Rot. Bonds7

About N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide

N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide (PubChem CID 75500248) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide
PubChem CID75500248
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC NameN-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCn1ccnc1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-4-17(15,16)13-6-5-8-14-9-7-12-11(14)10(2)3/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyFNHBKRBOZJMEIF-UHFFFAOYSA-N
XLogP1.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-[3-(sulfamoylamino)propyl]imidazole
CID 72713105
N-[3-(dimethylamino)propyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
CID 73331935
2-(1H-imidazol-1-yl)ethane-1-sulfonamide
CID 115644278
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923976
8-Ethylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739158
N,N-dimethyl-1-(8-propylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methanamine
CID 118743097
8-Propylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118743103
N-ethyl-N-[3-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]propyl]methanesulfonamide chloride
CID 136001939
N-[3-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]propyl]-N-methylmethanesulfonamide chloride
CID 136001941
4-(3-Methylimidazol-3-ium-1-yl)butane-1-sulfonic acid
CID 11290045
3-(2-Isopropyl-imidazol-1-yl)-propylamine
CID 6484135
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-1-propanesulfonamide
CID 91911722

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide (CID 75500248) is N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCn1ccnc1C(C)C.
What is the InChIKey of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide?
The InChIKey is FNHBKRBOZJMEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-17(15,16)13-6-5-8-14-9-7-12-11(14)10(2)3/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide?
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide has a molecular weight of 259.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 75500248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).