1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C12H25NO5S — CID 106989532

IUPAC1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO5S/c1-10(7-17-2)18-8-12(14)6-13-5-11-3-4-19(15,16)9-11/h10-14H,3-9H2,1-2H3
InChIKeyICBUHFCQEYUFCD-UHFFFAOYSA-N
MW295.40 g/mol
LogP-0.58
Rot. Bonds9

About 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989532) has the molecular formula C12H25NO5S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989532
Molecular FormulaC12H25NO5S
Molecular Weight295.40 g/mol
Exact Mass295.15
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO5S/c1-10(7-17-2)18-8-12(14)6-13-5-11-3-4-19(15,16)9-11/h10-14H,3-9H2,1-2H3
InChIKeyICBUHFCQEYUFCD-UHFFFAOYSA-N
XLogP-0.58
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
CID 63928167
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
(2S)-3-[(1,1-dioxothiolan-3-yl)methylamino]propane-1,2-diol
CID 61150575
2-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407660
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 55101098
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methoxybutan-2-amine
CID 115708252
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989532) is 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNCC1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is ICBUHFCQEYUFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5S/c1-10(7-17-2)18-8-12(14)6-13-5-11-3-4-19(15,16)9-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 295.40 g/mol, XLogP of -0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).