(2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine

C11H27N3O2S — CID 58821550

IUPAC(2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C(C)C
InChIInChI=1S/C11H27N3O2S/c1-9(2)11(12-10(3)4)8-14(7)17(15,16)13(5)6/h9-12H,8H2,1-7H3/t11-/m1/s1
InChIKeyNGFUUZDRXFDGOB-LLVKDONJSA-N
MW265.42 g/mol
LogP0.75
Rot. Bonds7

About (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine

(2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 58821550) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID58821550
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name(2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C(C)C
InChIInChI=1S/C11H27N3O2S/c1-9(2)11(12-10(3)4)8-14(7)17(15,16)13(5)6/h9-12H,8H2,1-7H3/t11-/m1/s1
InChIKeyNGFUUZDRXFDGOB-LLVKDONJSA-N
XLogP0.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine (CID 58821550) is (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine is CC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C(C)C.
What is the InChIKey of (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is NGFUUZDRXFDGOB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-9(2)11(12-10(3)4)8-14(7)17(15,16)13(5)6/h9-12H,8H2,1-7H3/t11-/m1/s1.
What are the key properties of (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
(2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 265.42 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(dimethylsulfamoyl)-1-N,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 58821550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).