N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine

C10H17NO3S — CID 62065947

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCC=CO2)C1
InChIInChI=1S/C10H17NO3S/c12-15(13)6-4-9(8-15)11-7-10-3-1-2-5-14-10/h2,5,9-11H,1,3-4,6-8H2
InChIKeyTUAICDIJUSBOBU-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.46
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine (PubChem CID 62065947) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine
PubChem CID62065947
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCC=CO2)C1
InChIInChI=1S/C10H17NO3S/c12-15(13)6-4-9(8-15)11-7-10-3-1-2-5-14-10/h2,5,9-11H,1,3-4,6-8H2
InChIKeyTUAICDIJUSBOBU-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride
CID 2980201
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[(1,1-dioxothiolan-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 81039030
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)oxolan-2-one
CID 130645838
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
CID 62064257
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79165323
N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 105491866
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine
CID 62065627
5-[[(1,1-dioxothiolan-3-yl)amino]methyl]pyrrolidin-2-one
CID 60727214

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine (CID 62065947) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCC2CCC=CO2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is TUAICDIJUSBOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-15(13)6-4-9(8-15)11-7-10-3-1-2-5-14-10/h2,5,9-11H,1,3-4,6-8H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 231.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62065947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).