[[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane

C11H25N3O2S — CID 70891119

IUPAC[[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane
SMILESCN[C@H](CNS(=O)(=O)N(C)C1CC1)C(C)(C)C
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)10(12-4)8-13-17(15,16)14(5)9-6-7-9/h9-10,12-13H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyPEYFAFLWNDCVEM-SNVBAGLBSA-N
MW263.41 g/mol
LogP0.55
Rot. Bonds6

About [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane

[[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane (PubChem CID 70891119) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane.

Molecular Properties

Compound Name[[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane
PubChem CID70891119
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name[[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane
SMILESCN[C@H](CNS(=O)(=O)N(C)C1CC1)C(C)(C)C
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)10(12-4)8-13-17(15,16)14(5)9-6-7-9/h9-10,12-13H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyPEYFAFLWNDCVEM-SNVBAGLBSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane?
The IUPAC name of [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane (CID 70891119) is [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane.
What is the SMILES notation for [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane?
The canonical SMILES for [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane is CN[C@H](CNS(=O)(=O)N(C)C1CC1)C(C)(C)C.
What is the InChIKey of [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane?
The InChIKey is PEYFAFLWNDCVEM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,3)10(12-4)8-13-17(15,16)14(5)9-6-7-9/h9-10,12-13H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane?
[[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane has a molecular weight of 263.41 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-3,3-dimethyl-2-(methylamino)butyl]sulfamoyl-methylamino]cyclopropane is sourced from PubChem (CID 70891119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).