N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide

C11H21N3O2S2 — CID 97326472

IUPACN-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCSC[C@@H](C)CNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C11H21N3O2S2/c1-9(2)14-6-11(12-8-14)18(15,16)13-5-10(3)7-17-4/h6,8-10,13H,5,7H2,1-4H3/t10-/m0/s1
InChIKeyWZOSVTLNDLCSBK-JTQLQIEISA-N
MW291.44 g/mol
LogP1.74
Rot. Bonds7

About N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 97326472) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID97326472
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCSC[C@@H](C)CNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C11H21N3O2S2/c1-9(2)14-6-11(12-8-14)18(15,16)13-5-10(3)7-17-4/h6,8-10,13H,5,7H2,1-4H3/t10-/m0/s1
InChIKeyWZOSVTLNDLCSBK-JTQLQIEISA-N
XLogP1.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
(4aR,7aS)-4-(1-methylimidazol-4-yl)sulfonyl-1-(2-methylpropyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70763680
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 2810678
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
CID 84591328
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
N-[(2S)-1-imidazol-1-ylbutan-2-yl]butane-1-sulfonamide
CID 164641693
1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide
CID 3071456
(4S)-4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
CID 137334005
4-[(2-Methylsulfonylimidazol-1-yl)methyl]-1,3-thiazolidine
CID 172429158

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 97326472) is N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide is CSC[C@@H](C)CNS(=O)(=O)c1cn(C(C)C)cn1.
What is the InChIKey of N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is WZOSVTLNDLCSBK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-9(2)14-6-11(12-8-14)18(15,16)13-5-10(3)7-17-4/h6,8-10,13H,5,7H2,1-4H3/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 97326472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).