N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine

C8H17NO3S — CID 105460988

IUPACN-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
SMILESCN(O)CCC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-9(10)5-2-8-3-6-13(11,12)7-4-8/h8,10H,2-7H2,1H3
InChIKeySCGXUAUYRUKRCE-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.52
Rot. Bonds3

About N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine

N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine (PubChem CID 105460988) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
PubChem CID105460988
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
SMILESCN(O)CCC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-9(10)5-2-8-3-6-13(11,12)7-4-8/h8,10H,2-7H2,1H3
InChIKeySCGXUAUYRUKRCE-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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

N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine
CID 105436314
4-(2-chloroethyl)thiane 1,1-dioxide
CID 165442891
4-(3-methylbutyl)thiane 1,1-dioxide
CID 155094619
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
CID 105460990
O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104683
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
CID 84778007
1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol
CID 163639046
4-(1,1-dioxothiolan-3-yl)-2-methylbutan-2-ol
CID 84739893
N-methyl-N-(2-pyrrolidin-3-ylethyl)hydroxylamine
CID 105428686
4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176604731

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine?
The IUPAC name of N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine (CID 105460988) is N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine?
The canonical SMILES for N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine is CN(O)CCC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine?
The InChIKey is SCGXUAUYRUKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-9(10)5-2-8-3-6-13(11,12)7-4-8/h8,10H,2-7H2,1H3.
What are the key properties of N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine?
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine has a molecular weight of 207.29 g/mol, XLogP of 0.52, 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-4-yl)ethyl]-N-methylhydroxylamine is sourced from PubChem (CID 105460988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).