(2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide

C12H26N2O4S — CID 134992601

IUPAC(2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide
SMILESCCN(CC)C(=O)[C@@](C)(O)CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S/c1-7-14(8-2)10(15)12(6,16)9-13-19(17,18)11(3,4)5/h13,16H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyZYCHFFHHNCAFMN-LBPRGKRZSA-N
MW294.42 g/mol
LogP0.32
Rot. Bonds6

About (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide

(2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide (PubChem CID 134992601) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide
PubChem CID134992601
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name(2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide
SMILESCCN(CC)C(=O)[C@@](C)(O)CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S/c1-7-14(8-2)10(15)12(6,16)9-13-19(17,18)11(3,4)5/h13,16H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyZYCHFFHHNCAFMN-LBPRGKRZSA-N
XLogP0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide (CID 134992601) is (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide is CCN(CC)C(=O)[C@@](C)(O)CNS(=O)(=O)C(C)(C)C.
What is the InChIKey of (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide?
The InChIKey is ZYCHFFHHNCAFMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-7-14(8-2)10(15)12(6,16)9-13-19(17,18)11(3,4)5/h13,16H,7-9H2,1-6H3/t12-/m0/s1.
What are the key properties of (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide?
(2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(tert-butylsulfonylamino)-N,N-diethyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 134992601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).