(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one

C10H18N2O4S — CID 115056615

IUPAC(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(CC2CCS(=O)(=O)CC2)C(=O)O1
InChIInChI=1S/C10H18N2O4S/c11-5-9-7-12(10(13)16-9)6-8-1-3-17(14,15)4-2-8/h8-9H,1-7,11H2/t9-/m0/s1
InChIKeyWRAHUUSTKUZGIT-VIFPVBQESA-N
MW262.33 g/mol
LogP-0.41
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115056615) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID115056615
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(CC2CCS(=O)(=O)CC2)C(=O)O1
InChIInChI=1S/C10H18N2O4S/c11-5-9-7-12(10(13)16-9)6-8-1-3-17(14,15)4-2-8/h8-9H,1-7,11H2/t9-/m0/s1
InChIKeyWRAHUUSTKUZGIT-VIFPVBQESA-N
XLogP-0.41
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one (CID 115056615) is (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one is NC[C@H]1CN(CC2CCS(=O)(=O)CC2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is WRAHUUSTKUZGIT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O4S/c11-5-9-7-12(10(13)16-9)6-8-1-3-17(14,15)4-2-8/h8-9H,1-7,11H2/t9-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 262.33 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).