N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine

C8H15NOS — CID 174336176

IUPACN-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
SMILESCC1SC(C(C)C)CC1=NO
InChIInChI=1S/C8H15NOS/c1-5(2)8-4-7(9-10)6(3)11-8/h5-6,8,10H,4H2,1-3H3
InChIKeyGUCNWDKSYSPKGG-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.37
Rot. Bonds1

About N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine

N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine (PubChem CID 174336176) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
PubChem CID174336176
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine
SMILESCC1SC(C(C)C)CC1=NO
InChIInChI=1S/C8H15NOS/c1-5(2)8-4-7(9-10)6(3)11-8/h5-6,8,10H,4H2,1-3H3
InChIKeyGUCNWDKSYSPKGG-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
The IUPAC name of N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine (CID 174336176) is N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine is CC1SC(C(C)C)CC1=NO.
What is the InChIKey of N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
The InChIKey is GUCNWDKSYSPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-5(2)8-4-7(9-10)6(3)11-8/h5-6,8,10H,4H2,1-3H3.
What are the key properties of N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine?
N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine has a molecular weight of 173.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-ylthiolan-3-ylidene)hydroxylamine is sourced from PubChem (CID 174336176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).