N-(5,5-dimethylthian-3-yl)hydroxylamine

C7H15NOS — CID 82684918

IUPACN-(5,5-dimethylthian-3-yl)hydroxylamine
SMILESCC1(C)CSCC(NO)C1
InChIInChI=1S/C7H15NOS/c1-7(2)3-6(8-9)4-10-5-7/h6,8-9H,3-5H2,1-2H3
InChIKeyMWJTXNRLEUXXKR-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.50
Rot. Bonds1

About N-(5,5-dimethylthian-3-yl)hydroxylamine

N-(5,5-dimethylthian-3-yl)hydroxylamine (PubChem CID 82684918) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-(5,5-dimethylthian-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5,5-dimethylthian-3-yl)hydroxylamine
PubChem CID82684918
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-(5,5-dimethylthian-3-yl)hydroxylamine
SMILESCC1(C)CSCC(NO)C1
InChIInChI=1S/C7H15NOS/c1-7(2)3-6(8-9)4-10-5-7/h6,8-9H,3-5H2,1-2H3
InChIKeyMWJTXNRLEUXXKR-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.50
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-(5,5-dimethylthian-3-yl)hydroxylamine?
The IUPAC name of N-(5,5-dimethylthian-3-yl)hydroxylamine (CID 82684918) is N-(5,5-dimethylthian-3-yl)hydroxylamine.
What is the SMILES notation for N-(5,5-dimethylthian-3-yl)hydroxylamine?
The canonical SMILES for N-(5,5-dimethylthian-3-yl)hydroxylamine is CC1(C)CSCC(NO)C1.
What is the InChIKey of N-(5,5-dimethylthian-3-yl)hydroxylamine?
The InChIKey is MWJTXNRLEUXXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2)3-6(8-9)4-10-5-7/h6,8-9H,3-5H2,1-2H3.
What are the key properties of N-(5,5-dimethylthian-3-yl)hydroxylamine?
N-(5,5-dimethylthian-3-yl)hydroxylamine has a molecular weight of 161.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylthian-3-yl)hydroxylamine is sourced from PubChem (CID 82684918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).