4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol

C13H26N2O4S — CID 63855136

IUPAC4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
SMILESCOCCNCC1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C13H26N2O4S/c1-19-7-5-14-8-11-4-2-3-6-15(11)12-9-20(17,18)10-13(12)16/h11-14,16H,2-10H2,1H3
InChIKeyADSWTQYBMJRCTC-UHFFFAOYSA-N
MW306.43 g/mol
LogP-0.77
Rot. Bonds6

About 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol

4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol (PubChem CID 63855136) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
PubChem CID63855136
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
SMILESCOCCNCC1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C13H26N2O4S/c1-19-7-5-14-8-11-4-2-3-6-15(11)12-9-20(17,18)10-13(12)16/h11-14,16H,2-10H2,1H3
InChIKeyADSWTQYBMJRCTC-UHFFFAOYSA-N
XLogP-0.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.77
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

methyl 2-[1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidin-2-yl]acetate
CID 62026194
4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 114337919
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N-cyclopropyl-2-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 55257989
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 82888085
3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
CID 63853747
N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581300
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103003262
N-[[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62580803

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol (CID 63855136) is 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol is COCCNCC1CCCCN1C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The InChIKey is ADSWTQYBMJRCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-19-7-5-14-8-11-4-2-3-6-15(11)12-9-20(17,18)10-13(12)16/h11-14,16H,2-10H2,1H3.
What are the key properties of 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol has a molecular weight of 306.43 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63855136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).