N-(2-methoxyethyl)-1,1-dioxothian-4-amine

C8H17NO3S — CID 43511424

IUPACN-(2-methoxyethyl)-1,1-dioxothian-4-amine
SMILESCOCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-12-5-4-9-8-2-6-13(10,11)7-3-8/h8-9H,2-7H2,1H3
InChIKeyZXTKMJZRRFIATH-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.20
Rot. Bonds4

About N-(2-methoxyethyl)-1,1-dioxothian-4-amine

N-(2-methoxyethyl)-1,1-dioxothian-4-amine (PubChem CID 43511424) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,1-dioxothian-4-amine
PubChem CID43511424
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(2-methoxyethyl)-1,1-dioxothian-4-amine
SMILESCOCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-12-5-4-9-8-2-6-13(10,11)7-3-8/h8-9H,2-7H2,1H3
InChIKeyZXTKMJZRRFIATH-UHFFFAOYSA-N
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 16248004
4-((2-Hydroxypropyl)amino)-1lambda6-thiane-1,1-dione hydrochloride
CID 75511749
(3S)-3-(methanesulfonylmethyl)morpholine hydrochloride
CID 165589367
(3S)-3-(2-methanesulfonylethyl)morpholinehydrochloride
CID 165734182
(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-(3-morpholin-4-yl-propyl)-amine
CID 3144943
4-((2-Hydroxypropyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 43511752
N-(2-methoxyethyl)thian-3-amine
CID 62873232
(3R)-3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine
CID 117928063
3-[2-(4,4,5,5,5-Pentafluoropentylsulfonyl)ethyl]morpholine
CID 123707228
(1,1-Dioxo-tetrahydrothiophen-3-yl)-(2-methoxy-ethyl)-amine
CID 3131598
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 61490839
1-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 63828893

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1,1-dioxothian-4-amine (CID 43511424) is N-(2-methoxyethyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1,1-dioxothian-4-amine is COCCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
The InChIKey is ZXTKMJZRRFIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-5-4-9-8-2-6-13(10,11)7-3-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
N-(2-methoxyethyl)-1,1-dioxothian-4-amine has a molecular weight of 207.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).