N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide

C11H21N3O3S — CID 104981934

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H](CC)CO)nc1C
InChIInChI=1S/C11H21N3O3S/c1-4-6-14-7-11(12-9(14)3)18(16,17)13-10(5-2)8-15/h7,10,13,15H,4-6,8H2,1-3H3/t10-/m0/s1
InChIKeyRFGYDMOHKCMHPP-JTQLQIEISA-N
MW275.37 g/mol
LogP0.65
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide

N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 104981934) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID104981934
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H](CC)CO)nc1C
InChIInChI=1S/C11H21N3O3S/c1-4-6-14-7-11(12-9(14)3)18(16,17)13-10(5-2)8-15/h7,10,13,15H,4-6,8H2,1-3H3/t10-/m0/s1
InChIKeyRFGYDMOHKCMHPP-JTQLQIEISA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
2-methyl-1-propyl-N-(2,2,2-trifluoroethoxy)imidazole-4-sulfonamide
CID 82715359
1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 103834103
N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 103836827
N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103836860
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide
CID 103836911
1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 103880412
N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 103880464
N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 104858765
N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104858830
2-methyl-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 105649273

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide (CID 104981934) is N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@@H](CC)CO)nc1C.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is RFGYDMOHKCMHPP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-4-6-14-7-11(12-9(14)3)18(16,17)13-10(5-2)8-15/h7,10,13,15H,4-6,8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 104981934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).