N-(2-cyclopropylethyl)-N-methylthiohydroxylamine

C6H13NS — CID 134228237

IUPACN-(2-cyclopropylethyl)-N-methylthiohydroxylamine
SMILESCN(S)CCC1CC1
InChIInChI=1S/C6H13NS/c1-7(8)5-4-6-2-3-6/h6,8H,2-5H2,1H3
InChIKeyKRBVMUJYQZNVKY-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.56
Rot. Bonds3

About N-(2-cyclopropylethyl)-N-methylthiohydroxylamine

N-(2-cyclopropylethyl)-N-methylthiohydroxylamine (PubChem CID 134228237) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-N-methylthiohydroxylamine
PubChem CID134228237
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-(2-cyclopropylethyl)-N-methylthiohydroxylamine
SMILESCN(S)CCC1CC1
InChIInChI=1S/C6H13NS/c1-7(8)5-4-6-2-3-6/h6,8H,2-5H2,1H3
InChIKeyKRBVMUJYQZNVKY-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-N-methylthiohydroxylamine?
The IUPAC name of N-(2-cyclopropylethyl)-N-methylthiohydroxylamine (CID 134228237) is N-(2-cyclopropylethyl)-N-methylthiohydroxylamine.
What is the SMILES notation for N-(2-cyclopropylethyl)-N-methylthiohydroxylamine?
The canonical SMILES for N-(2-cyclopropylethyl)-N-methylthiohydroxylamine is CN(S)CCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-N-methylthiohydroxylamine?
The InChIKey is KRBVMUJYQZNVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-7(8)5-4-6-2-3-6/h6,8H,2-5H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-N-methylthiohydroxylamine?
N-(2-cyclopropylethyl)-N-methylthiohydroxylamine has a molecular weight of 131.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-N-methylthiohydroxylamine is sourced from PubChem (CID 134228237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).