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

C9H18N2O3S — CID 115689085

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine
SMILESO=S1(=O)CCCN1CCNC1CCOC1
InChIInChI=1S/C9H18N2O3S/c12-15(13)7-1-4-11(15)5-3-10-9-2-6-14-8-9/h9-10H,1-8H2
InChIKeyRCDRNFOVDUCHMF-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.60
Rot. Bonds4

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

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine (PubChem CID 115689085) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine
PubChem CID115689085
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine
SMILESO=S1(=O)CCCN1CCNC1CCOC1
InChIInChI=1S/C9H18N2O3S/c12-15(13)7-1-4-11(15)5-3-10-9-2-6-14-8-9/h9-10H,1-8H2
InChIKeyRCDRNFOVDUCHMF-UHFFFAOYSA-N
XLogP-0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine
CID 115889214
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]thiolan-3-amine
CID 115889210
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548156
N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
CID 115689075
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride
CID 119620473
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-[2-(2-ethylpiperidin-1-yl)ethyl]oxolan-3-amine
CID 115689238
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]methanesulfonamide
CID 48946668

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine (CID 115689085) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine is O=S1(=O)CCCN1CCNC1CCOC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine?
The InChIKey is RCDRNFOVDUCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/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]oxolan-3-amine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxolan-3-amine has a molecular weight of 234.32 g/mol, XLogP of -0.60, 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]oxolan-3-amine is sourced from PubChem (CID 115689085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).