2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole

C10H20N4O2S — CID 125445143

IUPAC2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole
SMILESCC(C)[C@H](NS(=O)(=O)N(C)C)c1nccn1C
InChIInChI=1S/C10H20N4O2S/c1-8(2)9(10-11-6-7-14(10)5)12-17(15,16)13(3)4/h6-9,12H,1-5H3/t9-/m0/s1
InChIKeyYTZWFLUKNPOMKK-VIFPVBQESA-N
MW260.36 g/mol
LogP0.51
Rot. Bonds5

About 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole

2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole (PubChem CID 125445143) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole
PubChem CID125445143
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole
SMILESCC(C)[C@H](NS(=O)(=O)N(C)C)c1nccn1C
InChIInChI=1S/C10H20N4O2S/c1-8(2)9(10-11-6-7-14(10)5)12-17(15,16)13(3)4/h6-9,12H,1-5H3/t9-/m0/s1
InChIKeyYTZWFLUKNPOMKK-VIFPVBQESA-N
XLogP0.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole?
The IUPAC name of 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole (CID 125445143) is 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole.
What is the SMILES notation for 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole?
The canonical SMILES for 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole is CC(C)[C@H](NS(=O)(=O)N(C)C)c1nccn1C.
What is the InChIKey of 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole?
The InChIKey is YTZWFLUKNPOMKK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-8(2)9(10-11-6-7-14(10)5)12-17(15,16)13(3)4/h6-9,12H,1-5H3/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole?
2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole has a molecular weight of 260.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole is sourced from PubChem (CID 125445143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).