N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide

C10H24N2O2S — CID 59904503

IUPACN-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)N(C[C@H](C)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H24N2O2S/c1-8(2)12(9(3)4)7-10(5)11-15(6,13)14/h8-11H,7H2,1-6H3/t10-/m0/s1
InChIKeyIVFQKLWLXRYZBK-JTQLQIEISA-N
MW236.38 g/mol
LogP1.04
Rot. Bonds6

About N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide

N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide (PubChem CID 59904503) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide
PubChem CID59904503
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(C)N(C[C@H](C)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H24N2O2S/c1-8(2)12(9(3)4)7-10(5)11-15(6,13)14/h8-11H,7H2,1-6H3/t10-/m0/s1
InChIKeyIVFQKLWLXRYZBK-JTQLQIEISA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide (CID 59904503) is N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide is CC(C)N(C[C@H](C)NS(C)(=O)=O)C(C)C.
What is the InChIKey of N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is IVFQKLWLXRYZBK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-8(2)12(9(3)4)7-10(5)11-15(6,13)14/h8-11H,7H2,1-6H3/t10-/m0/s1.
What are the key properties of N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide?
N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 59904503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).