N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine

C8H17NOS — CID 105436314

IUPACN-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine
SMILESCN(O)CCC1CCSCC1
InChIInChI=1S/C8H17NOS/c1-9(10)5-2-8-3-6-11-7-4-8/h8,10H,2-7H2,1H3
InChIKeyGYSFJXQECVOMGN-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine

N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine (PubChem CID 105436314) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine
PubChem CID105436314
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine
SMILESCN(O)CCC1CCSCC1
InChIInChI=1S/C8H17NOS/c1-9(10)5-2-8-3-6-11-7-4-8/h8,10H,2-7H2,1H3
InChIKeyGYSFJXQECVOMGN-UHFFFAOYSA-N
XLogP1.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine?
The IUPAC name of N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine (CID 105436314) is N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine is CN(O)CCC1CCSCC1.
What is the InChIKey of N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine?
The InChIKey is GYSFJXQECVOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-9(10)5-2-8-3-6-11-7-4-8/h8,10H,2-7H2,1H3.
What are the key properties of N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine?
N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine has a molecular weight of 175.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 105436314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).