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

C10H20N2O3S — CID 115889214

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine
SMILESO=S1(=O)CCCN1CCNC1CCCOC1
InChIInChI=1S/C10H20N2O3S/c13-16(14)8-2-5-12(16)6-4-11-10-3-1-7-15-9-10/h10-11H,1-9H2
InChIKeyCWBDWUHCBKSBHJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds4

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

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine (PubChem CID 115889214) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine
PubChem CID115889214
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine
SMILESO=S1(=O)CCCN1CCNC1CCCOC1
InChIInChI=1S/C10H20N2O3S/c13-16(14)8-2-5-12(16)6-4-11-10-3-1-7-15-9-10/h10-11H,1-9H2
InChIKeyCWBDWUHCBKSBHJ-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
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]oxolan-3-amine
CID 115689085
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-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride
CID 119620473
3-(oxan-3-ylamino)propanoic acid
CID 63363556
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547784
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]methanesulfonamide
CID 48946668
N-(5-methylsulfanylpentyl)oxan-3-amine
CID 104926386
N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine
CID 115891550

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine (CID 115889214) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine is O=S1(=O)CCCN1CCNC1CCCOC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine?
The InChIKey is CWBDWUHCBKSBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-16(14)8-2-5-12(16)6-4-11-10-3-1-7-15-9-10/h10-11H,1-9H2.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine has a molecular weight of 248.35 g/mol, XLogP of -0.21, 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]oxan-3-amine is sourced from PubChem (CID 115889214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).