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

C12H29N3O2S — CID 58821561

IUPAC(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C12H29N3O2S/c1-10(2)13-11(12(3,4)5)9-15(8)18(16,17)14(6)7/h10-11,13H,9H2,1-8H3/t11-/m1/s1
InChIKeyQDYLSDZAVMOQSV-LLVKDONJSA-N
MW279.45 g/mol
LogP1.14
Rot. Bonds6

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

(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 58821561) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID58821561
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC Name(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C12H29N3O2S/c1-10(2)13-11(12(3,4)5)9-15(8)18(16,17)14(6)7/h10-11,13H,9H2,1-8H3/t11-/m1/s1
InChIKeyQDYLSDZAVMOQSV-LLVKDONJSA-N
XLogP1.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.14
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,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine (CID 58821561) is (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-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)C.
What is the InChIKey of (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is QDYLSDZAVMOQSV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-10(2)13-11(12(3,4)5)9-15(8)18(16,17)14(6)7/h10-11,13H,9H2,1-8H3/t11-/m1/s1.
What are the key properties of (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine?
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 279.45 g/mol, XLogP of 1.14, 6 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,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 58821561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).