(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane

C9H23N3O2S — CID 89072418

IUPAC(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane
SMILESCN[C@H](CNS(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-9(2,3)8(10-4)7-11-15(13,14)12(5)6/h8,10-11H,7H2,1-6H3/t8-/m1/s1
InChIKeyDSHIECCHUUEDMC-MRVPVSSYSA-N
MW237.37 g/mol
LogP0.02
Rot. Bonds5

About (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane

(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane (PubChem CID 89072418) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane.

Molecular Properties

Compound Name(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane
PubChem CID89072418
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane
SMILESCN[C@H](CNS(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-9(2,3)8(10-4)7-11-15(13,14)12(5)6/h8,10-11H,7H2,1-6H3/t8-/m1/s1
InChIKeyDSHIECCHUUEDMC-MRVPVSSYSA-N
XLogP0.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane?
The IUPAC name of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane (CID 89072418) is (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane.
What is the SMILES notation for (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane?
The canonical SMILES for (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane is CN[C@H](CNS(=O)(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane?
The InChIKey is DSHIECCHUUEDMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-9(2,3)8(10-4)7-11-15(13,14)12(5)6/h8,10-11H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane?
(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane has a molecular weight of 237.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(methylamino)butane is sourced from PubChem (CID 89072418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).