[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol

C10H19NO4S — CID 103822681

IUPAC[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol
SMILESO=S1(=O)CCC(NC2(CO)CCOCC2)C1
InChIInChI=1S/C10H19NO4S/c12-8-10(2-4-15-5-3-10)11-9-1-6-16(13,14)7-9/h9,11-12H,1-8H2
InChIKeyZNGASOGNPKCBCC-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.70
Rot. Bonds3

About [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol

[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol (PubChem CID 103822681) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol
PubChem CID103822681
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol
SMILESO=S1(=O)CCC(NC2(CO)CCOCC2)C1
InChIInChI=1S/C10H19NO4S/c12-8-10(2-4-15-5-3-10)11-9-1-6-16(13,14)7-9/h9,11-12H,1-8H2
InChIKeyZNGASOGNPKCBCC-UHFFFAOYSA-N
XLogP-0.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol
CID 103922946
4-benzyl-N-(1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 110090611
2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851114
[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
CID 106297981
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
CID 106298082
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
[4-(cyclopropylsulfamoylamino)oxan-4-yl]methanol
CID 106299127
4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
CID 60896483
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111140469
1-[(1,1-dioxothiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095028

Frequently Asked Questions

What is the IUPAC name of [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol (CID 103822681) is [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol is O=S1(=O)CCC(NC2(CO)CCOCC2)C1.
What is the InChIKey of [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol?
The InChIKey is ZNGASOGNPKCBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-8-10(2-4-15-5-3-10)11-9-1-6-16(13,14)7-9/h9,11-12H,1-8H2.
What are the key properties of [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol?
[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 103822681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).