N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine

C8H17NO3S — CID 105460990

IUPACN-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
SMILESCN(O)CCC1CCCCS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-9(10)6-5-8-4-2-3-7-13(8,11)12/h8,10H,2-7H2,1H3
InChIKeyDBBFAUNTSDQWCK-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.66
Rot. Bonds3

About N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine

N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine (PubChem CID 105460990) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
PubChem CID105460990
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
SMILESCN(O)CCC1CCCCS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-9(10)6-5-8-4-2-3-7-13(8,11)12/h8,10H,2-7H2,1H3
InChIKeyDBBFAUNTSDQWCK-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol
CID 115073727
1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol
CID 115073563
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
CID 105460988
O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104786
2-(isocyanomethyl)thiane 1,1-dioxide
CID 117103151
N-(2-bromoethyl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104522278
N-[(1,1-dioxothian-2-yl)methyl]propan-1-amine
CID 104519114
2-(1,1-dioxothian-2-yl)acetohydrazide
CID 84674346
2-(6-isothiocyanatohexyl)thiane 1,1-dioxide
CID 146300424
2-[(1,1-dioxothiane-2-carbonyl)-methylamino]acetic acid
CID 104517408
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine?
The IUPAC name of N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine (CID 105460990) is N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine?
The canonical SMILES for N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine is CN(O)CCC1CCCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine?
The InChIKey is DBBFAUNTSDQWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-9(10)6-5-8-4-2-3-7-13(8,11)12/h8,10H,2-7H2,1H3.
What are the key properties of N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine?
N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine has a molecular weight of 207.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine is sourced from PubChem (CID 105460990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).