1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine

C10H20N2O2S2 — CID 62574345

IUPAC1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NCCN2CCSCC2)C1
InChIInChI=1S/C10H20N2O2S2/c13-16(14)8-1-10(9-16)11-2-3-12-4-6-15-7-5-12/h10-11H,1-9H2
InChIKeyGPAAEIWXVYOGJC-UHFFFAOYSA-N
MW264.42 g/mol
LogP-0.19
Rot. Bonds4

About 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine

1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine (PubChem CID 62574345) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
PubChem CID62574345
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NCCN2CCSCC2)C1
InChIInChI=1S/C10H20N2O2S2/c13-16(14)8-1-10(9-16)11-2-3-12-4-6-15-7-5-12/h10-11H,1-9H2
InChIKeyGPAAEIWXVYOGJC-UHFFFAOYSA-N
XLogP-0.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 55089467
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 102968388
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 79925293
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62560596
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 107395631
5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
CID 62562815
N-(2-thiomorpholin-4-ylethyl)oxolan-3-amine
CID 115689210

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine (CID 62574345) is 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine is O=S1(=O)CCC(NCCN2CCSCC2)C1.
What is the InChIKey of 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine?
The InChIKey is GPAAEIWXVYOGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c13-16(14)8-1-10(9-16)11-2-3-12-4-6-15-7-5-12/h10-11H,1-9H2.
What are the key properties of 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine?
1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine has a molecular weight of 264.42 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine is sourced from PubChem (CID 62574345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).