tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate

C9H20N2O4S — CID 81005555

IUPACtert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate
SMILESC[C@@H](NS(=O)(=O)N(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-7(8(12)15-9(2,3)4)10-16(13,14)11(5)6/h7,10H,1-6H3/t7-/m1/s1
InChIKeyOTPZPGOGCLRLCW-SSDOTTSWSA-N
MW252.34 g/mol
LogP0.11
Rot. Bonds4

About tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate

tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate (PubChem CID 81005555) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate
PubChem CID81005555
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nametert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate
SMILESC[C@@H](NS(=O)(=O)N(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-7(8(12)15-9(2,3)4)10-16(13,14)11(5)6/h7,10H,1-6H3/t7-/m1/s1
InChIKeyOTPZPGOGCLRLCW-SSDOTTSWSA-N
XLogP0.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate (CID 81005555) is tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate is C[C@@H](NS(=O)(=O)N(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate?
The InChIKey is OTPZPGOGCLRLCW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(8(12)15-9(2,3)4)10-16(13,14)11(5)6/h7,10H,1-6H3/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate?
tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate has a molecular weight of 252.34 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate is sourced from PubChem (CID 81005555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).