(4-ethoxyoxan-4-yl)methanesulfinamide

C8H17NO3S — CID 165452898

IUPAC(4-ethoxyoxan-4-yl)methanesulfinamide
SMILESCCOC1(CS(N)=O)CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-12-8(7-13(9)10)3-5-11-6-4-8/h2-7,9H2,1H3
InChIKeyNMBRUKODAIFEHG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.19
Rot. Bonds4

About (4-ethoxyoxan-4-yl)methanesulfinamide

(4-ethoxyoxan-4-yl)methanesulfinamide (PubChem CID 165452898) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)methanesulfinamide.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)methanesulfinamide
PubChem CID165452898
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(4-ethoxyoxan-4-yl)methanesulfinamide
SMILESCCOC1(CS(N)=O)CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-12-8(7-13(9)10)3-5-11-6-4-8/h2-7,9H2,1H3
InChIKeyNMBRUKODAIFEHG-UHFFFAOYSA-N
XLogP0.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyoxolan-3-yl)methanesulfinate
CID 115019890
(3-ethoxyoxolan-3-yl)methanesulfinic acid
CID 115019891
methyl 4-(sulfinamoylmethyl)oxane-4-carboxylate
CID 165452807
2-(3-ethoxyoxolan-3-yl)acetaldehyde
CID 105430914
2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742
[(3S)-3-ethoxyoxolan-3-yl]methanesulfonyl chloride
CID 125041432
(4-propoxyoxan-4-yl)methanamine
CID 65051760
ethane;4-ethoxy-4-methyloxane
CID 143599120
4-ethoxyoxane-4-carboxylic acid
CID 78969464
[4-(2-ethylsulfonylethoxy)oxan-4-yl]methanamine
CID 65051923
sodium (4-methyloxan-4-yl)methanesulfinate
CID 165449192
2-(4-methoxyoxan-4-yl)acetaldehyde
CID 105430923

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)methanesulfinamide?
The IUPAC name of (4-ethoxyoxan-4-yl)methanesulfinamide (CID 165452898) is (4-ethoxyoxan-4-yl)methanesulfinamide.
What is the SMILES notation for (4-ethoxyoxan-4-yl)methanesulfinamide?
The canonical SMILES for (4-ethoxyoxan-4-yl)methanesulfinamide is CCOC1(CS(N)=O)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)methanesulfinamide?
The InChIKey is NMBRUKODAIFEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-12-8(7-13(9)10)3-5-11-6-4-8/h2-7,9H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)methanesulfinamide?
(4-ethoxyoxan-4-yl)methanesulfinamide has a molecular weight of 207.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)methanesulfinamide is sourced from PubChem (CID 165452898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).