N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide

C12H28N2O2S — CID 58821538

IUPACN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-9(2)12(13-10(3)4)8-14(7)17(15,16)11(5)6/h9-13H,8H2,1-7H3/t12-/m1/s1
InChIKeyVPUDKINAHHTHIU-GFCCVEGCSA-N
MW264.44 g/mol
LogP1.68
Rot. Bonds7

About N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide

N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide (PubChem CID 58821538) has the molecular formula C12H28N2O2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide
PubChem CID58821538
Molecular FormulaC12H28N2O2S
Molecular Weight264.44 g/mol
Exact Mass264.19
IUPAC NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C(C)C)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-9(2)12(13-10(3)4)8-14(7)17(15,16)11(5)6/h9-13H,8H2,1-7H3/t12-/m1/s1
InChIKeyVPUDKINAHHTHIU-GFCCVEGCSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide?
The IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide (CID 58821538) is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide is CC(C)N[C@H](CN(C)S(=O)(=O)C(C)C)C(C)C.
What is the InChIKey of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide?
The InChIKey is VPUDKINAHHTHIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-9(2)12(13-10(3)4)8-14(7)17(15,16)11(5)6/h9-13H,8H2,1-7H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide?
N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide has a molecular weight of 264.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]propane-2-sulfonamide is sourced from PubChem (CID 58821538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).