CID 59930121

C10H21N2O4S — CID 59930121

IUPAC—
SMILES[CH2]C(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H21N2O4S/c1-7(2)10(14)11-8(3)9(13)6-12(4)17(5,15)16/h7-9,13H,1,6H2,2-5H3,(H,11,14)/t7?,8-,9?/m0/s1
InChIKeyDNTHIWDUZSGBIH-MGURRDGZSA-N
MW265.36 g/mol
LogP-0.79
Rot. Bonds6

About CID 59930121

CID 59930121 (PubChem CID 59930121) has the molecular formula C10H21N2O4S and a molecular weight of 265.36 g/mol.

Molecular Properties

Compound NameCID 59930121
PubChem CID59930121
Molecular FormulaC10H21N2O4S
Molecular Weight265.36 g/mol
Exact Mass265.12
IUPAC Name—
SMILES[CH2]C(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H21N2O4S/c1-7(2)10(14)11-8(3)9(13)6-12(4)17(5,15)16/h7-9,13H,1,6H2,2-5H3,(H,11,14)/t7?,8-,9?/m0/s1
InChIKeyDNTHIWDUZSGBIH-MGURRDGZSA-N
XLogP-0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59930121?
The IUPAC name of CID 59930121 (CID 59930121) is not available.
What is the SMILES notation for CID 59930121?
The canonical SMILES for CID 59930121 is [CH2]C(C)C(=O)N[C@@H](C)C(O)CN(C)S(C)(=O)=O.
What is the InChIKey of CID 59930121?
The InChIKey is DNTHIWDUZSGBIH-MGURRDGZSA-N. The full InChI is InChI=1S/C10H21N2O4S/c1-7(2)10(14)11-8(3)9(13)6-12(4)17(5,15)16/h7-9,13H,1,6H2,2-5H3,(H,11,14)/t7?,8-,9?/m0/s1.
What are the key properties of CID 59930121?
CID 59930121 has a molecular weight of 265.36 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59930121 is sourced from PubChem (CID 59930121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).