N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide

C11H21N3O2S — CID 164641693

IUPACN-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](CC)Cn1ccnc1
InChIInChI=1S/C11H21N3O2S/c1-3-5-8-17(15,16)13-11(4-2)9-14-7-6-12-10-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyRSWDJGUQWAOBCT-NSHDSACASA-N
MW259.37 g/mol
LogP1.38
Rot. Bonds8

About N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide

N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide (PubChem CID 164641693) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide
PubChem CID164641693
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](CC)Cn1ccnc1
InChIInChI=1S/C11H21N3O2S/c1-3-5-8-17(15,16)13-11(4-2)9-14-7-6-12-10-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyRSWDJGUQWAOBCT-NSHDSACASA-N
XLogP1.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
1-(4-Sulfobutyl)-3-methylimidazolium hydrogen sulfate
CID 11290044
4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
CID 11475374
1-Butyl-3-methylimidazolium 1,1,2,2-tetrafluoroethanesulfonate
CID 87095945
2-(1H-imidazol-1-yl)ethane-1-sulfonamide
CID 115644278
6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923976
1,1,1-trifluoro-N-[1-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]butan-2-yl]methanesulfonamide chloride
CID 136001933
4-(3-Methylimidazol-3-ium-1-yl)butane-1-sulfonic acid
CID 11290045
1-Butyl-3-methylimidazolium 1,1,2,3,3,3-hexafluoropropanesulfonate
CID 87096022

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide (CID 164641693) is N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](CC)Cn1ccnc1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide?
The InChIKey is RSWDJGUQWAOBCT-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-5-8-17(15,16)13-11(4-2)9-14-7-6-12-10-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide?
N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 164641693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).