N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine

C10H19NO3S — CID 61058397

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESO=S1(=O)CCC(CNCC2CCOC2)C1
InChIInChI=1S/C10H19NO3S/c12-15(13)4-2-10(8-15)6-11-5-9-1-3-14-7-9/h9-11H,1-8H2
InChIKeyMPJFUJDBTWCBAB-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.05
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 61058397) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID61058397
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESO=S1(=O)CCC(CNCC2CCOC2)C1
InChIInChI=1S/C10H19NO3S/c12-15(13)4-2-10(8-15)6-11-5-9-1-3-14-7-9/h9-11H,1-8H2
InChIKeyMPJFUJDBTWCBAB-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321834
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(oxolan-3-ylmethylamino)acetamide
CID 18801466
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 55101098
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(1,1-dioxothiolan-3-yl)methanamine
CID 79554926
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
N-[(1,1-dioxothiolan-3-yl)methyl]pentan-1-amine
CID 61058510
(2S)-3-[(1,1-dioxothiolan-3-yl)methylamino]propane-1,2-diol
CID 61150575
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 61058397) is N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine is O=S1(=O)CCC(CNCC2CCOC2)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is MPJFUJDBTWCBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-15(13)4-2-10(8-15)6-11-5-9-1-3-14-7-9/h9-11H,1-8H2.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 233.33 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61058397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).