1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol

C10H19NO5S — CID 106990097

IUPAC1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO5S/c1-15-3-4-16-7-10(12)6-11-9-2-5-17(13,14)8-9/h2,5,9-12H,3-4,6-8H2,1H3
InChIKeyUSJWPGAYKIITMS-UHFFFAOYSA-N
MW265.33 g/mol
LogP-1.09
Rot. Bonds8

About 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol

1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106990097) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106990097
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO5S/c1-15-3-4-16-7-10(12)6-11-9-2-5-17(13,14)8-9/h2,5,9-12H,3-4,6-8H2,1H3
InChIKeyUSJWPGAYKIITMS-UHFFFAOYSA-N
XLogP-1.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol
CID 103157951
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
N-(3-methylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60694979
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide
CID 60694028
2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate
CID 99977562
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
(Z)-4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-ethylbut-2-enoic acid
CID 103255036
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
methyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
CID 3359332
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
1-(2-methoxyethoxy)butan-2-ol
CID 20514540

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106990097) is 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNC1C=CS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is USJWPGAYKIITMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-15-3-4-16-7-10(12)6-11-9-2-5-17(13,14)8-9/h2,5,9-12H,3-4,6-8H2,1H3.
What are the key properties of 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 265.33 g/mol, XLogP of -1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106990097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).