1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine

C11H21NO4S — CID 62571099

IUPAC1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NCCOCC2CCCO2)C1
InChIInChI=1S/C11H21NO4S/c13-17(14)7-3-10(9-17)12-4-6-15-8-11-2-1-5-16-11/h10-12H,1-9H2
InChIKeyXBYBZOJROUGJHV-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.04
Rot. Bonds6

About 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine

1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine (PubChem CID 62571099) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine
PubChem CID62571099
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NCCOCC2CCCO2)C1
InChIInChI=1S/C11H21NO4S/c13-17(14)7-3-10(9-17)12-4-6-15-8-11-2-1-5-16-11/h10-12H,1-9H2
InChIKeyXBYBZOJROUGJHV-UHFFFAOYSA-N
XLogP-0.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride
CID 2980201
N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
CID 155891671
1,1-dioxo-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 63922435
1,1-dioxo-N-(2-prop-2-enoxyethyl)thiolan-3-amine
CID 62572213
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
1,1-dioxo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiolan-3-amine
CID 54962383
1,1-dioxo-N-[[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine
CID 60836572
N-[2-(2,2-difluoroethoxy)ethyl]-1,1-dioxothian-3-amine
CID 103082697
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine (CID 62571099) is 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine is O=S1(=O)CCC(NCCOCC2CCCO2)C1.
What is the InChIKey of 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine?
The InChIKey is XBYBZOJROUGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c13-17(14)7-3-10(9-17)12-4-6-15-8-11-2-1-5-16-11/h10-12H,1-9H2.
What are the key properties of 1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine?
1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine has a molecular weight of 263.36 g/mol, XLogP of -0.04, 6 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-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 62571099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).