N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine

C9H18N2O2S2 — CID 115889210

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine
SMILESO=S1(=O)CCCN1CCNC1CCSC1
InChIInChI=1S/C9H18N2O2S2/c12-15(13)7-1-4-11(15)5-3-10-9-2-6-14-8-9/h9-10H,1-8H2
InChIKeyBLQFVLSPEUHMME-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.12
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine (PubChem CID 115889210) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine
PubChem CID115889210
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine
SMILESO=S1(=O)CCCN1CCNC1CCSC1
InChIInChI=1S/C9H18N2O2S2/c12-15(13)7-1-4-11(15)5-3-10-9-2-6-14-8-9/h9-10H,1-8H2
InChIKeyBLQFVLSPEUHMME-UHFFFAOYSA-N
XLogP0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine (CID 115889210) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine is O=S1(=O)CCCN1CCNC1CCSC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine?
The InChIKey is BLQFVLSPEUHMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c12-15(13)7-1-4-11(15)5-3-10-9-2-6-14-8-9/h9-10H,1-8H2.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine has a molecular weight of 250.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 115889210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).