N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine

C10H21N3O3S — CID 112752084

IUPACN-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine
SMILESCN1CCN(CCNC2CCOCC2)S1(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-12-6-7-13(17(12,14)15)5-4-11-10-2-8-16-9-3-10/h10-11H,2-9H2,1H3
InChIKeyXTBWSWWZGBCAER-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.75
Rot. Bonds4

About N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine

N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine (PubChem CID 112752084) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine
PubChem CID112752084
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine
SMILESCN1CCN(CCNC2CCOCC2)S1(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-12-6-7-13(17(12,14)15)5-4-11-10-2-8-16-9-3-10/h10-11H,2-9H2,1H3
InChIKeyXTBWSWWZGBCAER-UHFFFAOYSA-N
XLogP-0.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-4-[[methyl(oxan-4-yl)sulfamoyl]amino]-1-propan-2-ylpyrrolidine
CID 71871886
N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine
CID 43610263
1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
N-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 62328267
1-(oxan-4-yl)-N-propan-2-ylpyrrolidin-3-amine
CID 64269944
(3S)-N-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 67314539
(3R)-N-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 67316136
(3R)-N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine
CID 93224720
(3S)-N-methyl-1-(oxan-4-yl)pyrrolidin-3-amine
CID 93224721
(3S)-1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 93876388
(3R)-1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 93876389
ethane;1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 160472411

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine (CID 112752084) is N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine is CN1CCN(CCNC2CCOCC2)S1(=O)=O.
What is the InChIKey of N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine?
The InChIKey is XTBWSWWZGBCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-12-6-7-13(17(12,14)15)5-4-11-10-2-8-16-9-3-10/h10-11H,2-9H2,1H3.
What are the key properties of N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine?
N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine has a molecular weight of 263.36 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 112752084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).