N-(1,1-dioxothian-3-yl)oxan-3-amine

C10H19NO3S — CID 63923831

IUPACN-(1,1-dioxothian-3-yl)oxan-3-amine
SMILESO=S1(=O)CCCC(NC2CCCOC2)C1
InChIInChI=1S/C10H19NO3S/c12-15(13)6-2-4-10(8-15)11-9-3-1-5-14-7-9/h9-11H,1-8H2
InChIKeyYWTTZGRYEMRHJO-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)oxan-3-amine

N-(1,1-dioxothian-3-yl)oxan-3-amine (PubChem CID 63923831) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)oxan-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)oxan-3-amine
PubChem CID63923831
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(1,1-dioxothian-3-yl)oxan-3-amine
SMILESO=S1(=O)CCCC(NC2CCCOC2)C1
InChIInChI=1S/C10H19NO3S/c12-15(13)6-2-4-10(8-15)11-9-3-1-5-14-7-9/h9-11H,1-8H2
InChIKeyYWTTZGRYEMRHJO-UHFFFAOYSA-N
XLogP0.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65076764
1-(1,1-dioxothian-3-yl)-3-(oxolan-3-yl)urea
CID 104600923
N-cycloheptyloxan-3-amine
CID 63359772
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(2-adamantyl)-1,1-dioxothian-3-amine
CID 63921811
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
N-cyclopentyloxolan-3-amine
CID 63331713
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
2-N-[(3S)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333491
2-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333489
N-(3-cyclopropylcyclohexyl)oxan-3-amine
CID 64623380

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)oxan-3-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)oxan-3-amine (CID 63923831) is N-(1,1-dioxothian-3-yl)oxan-3-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)oxan-3-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)oxan-3-amine is O=S1(=O)CCCC(NC2CCCOC2)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)oxan-3-amine?
The InChIKey is YWTTZGRYEMRHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-15(13)6-2-4-10(8-15)11-9-3-1-5-14-7-9/h9-11H,1-8H2.
What are the key properties of N-(1,1-dioxothian-3-yl)oxan-3-amine?
N-(1,1-dioxothian-3-yl)oxan-3-amine has a molecular weight of 233.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)oxan-3-amine is sourced from PubChem (CID 63923831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).