N-(2-methylthian-3-yl)hydroxylamine

C6H13NOS — CID 82687434

IUPACN-(2-methylthian-3-yl)hydroxylamine
SMILESCC1SCCCC1NO
InChIInChI=1S/C6H13NOS/c1-5-6(7-8)3-2-4-9-5/h5-8H,2-4H2,1H3
InChIKeyXBRWEWABUXVZAI-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.25
Rot. Bonds1

About N-(2-methylthian-3-yl)hydroxylamine

N-(2-methylthian-3-yl)hydroxylamine (PubChem CID 82687434) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(2-methylthian-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2-methylthian-3-yl)hydroxylamine
PubChem CID82687434
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(2-methylthian-3-yl)hydroxylamine
SMILESCC1SCCCC1NO
InChIInChI=1S/C6H13NOS/c1-5-6(7-8)3-2-4-9-5/h5-8H,2-4H2,1H3
InChIKeyXBRWEWABUXVZAI-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-(2-methylthian-3-yl)hydroxylamine?
The IUPAC name of N-(2-methylthian-3-yl)hydroxylamine (CID 82687434) is N-(2-methylthian-3-yl)hydroxylamine.
What is the SMILES notation for N-(2-methylthian-3-yl)hydroxylamine?
The canonical SMILES for N-(2-methylthian-3-yl)hydroxylamine is CC1SCCCC1NO.
What is the InChIKey of N-(2-methylthian-3-yl)hydroxylamine?
The InChIKey is XBRWEWABUXVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5-6(7-8)3-2-4-9-5/h5-8H,2-4H2,1H3.
What are the key properties of N-(2-methylthian-3-yl)hydroxylamine?
N-(2-methylthian-3-yl)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylthian-3-yl)hydroxylamine is sourced from PubChem (CID 82687434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).