3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine

C10H17NO3S — CID 102647940

IUPAC3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO3S/c11-10(9-3-1-2-5-14-9)8-4-6-15(12,13)7-8/h3,8,10H,1-2,4-7,11H2
InChIKeyHYUNASLHJSSBOM-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.44
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine

3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine (PubChem CID 102647940) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine
PubChem CID102647940
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO3S/c11-10(9-3-1-2-5-14-9)8-4-6-15(12,13)7-8/h3,8,10H,1-2,4-7,11H2
InChIKeyHYUNASLHJSSBOM-UHFFFAOYSA-N
XLogP0.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 64903915
1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 102649648
2,3-dihydro-1-benzofuran-7-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 114745990
(1,1-dioxothiolan-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 64906184
(4-bromo-5-chlorothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methanamine
CID 102827981
(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 79977858
1-(cyclopenten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64904121
(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine
CID 164648502
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
(4-butan-2-ylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 64905563
2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422
1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 106654139

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine (CID 102647940) is 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine is NC(C1=CCCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is HYUNASLHJSSBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c11-10(9-3-1-2-5-14-9)8-4-6-15(12,13)7-8/h3,8,10H,1-2,4-7,11H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 102647940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).