S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine

C7H16N2OS — CID 137403857

IUPACS-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine
SMILESCCN1CC(OC)C(SN)C1
InChIInChI=1S/C7H16N2OS/c1-3-9-4-6(10-2)7(5-9)11-8/h6-7H,3-5,8H2,1-2H3
InChIKeyOPUJLBSWUWGBKZ-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.31
Rot. Bonds3

About S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine

S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine (PubChem CID 137403857) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine
PubChem CID137403857
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameS-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine
SMILESCCN1CC(OC)C(SN)C1
InChIInChI=1S/C7H16N2OS/c1-3-9-4-6(10-2)7(5-9)11-8/h6-7H,3-5,8H2,1-2H3
InChIKeyOPUJLBSWUWGBKZ-UHFFFAOYSA-N
XLogP0.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine
CID 166854812
N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide
CID 142513188
1-ethyl-3-methoxy-4-methylpyrrolidine
CID 91075489
ethane;1-ethyl-4-methoxypyrrolidin-3-ol
CID 176573528
(1-ethyl-3-methoxypiperidin-4-yl)methanamine
CID 142983498
3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103531206
2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine
CID 129498587
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
(3S,4S)-1-(2-bromoethyl)-3,4-dimethoxypyrrolidine
CID 57053898
1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine
CID 103532546
1-ethyl-3-pentan-3-ylazetidine
CID 130188459
(3S,4S)-1-(2-chloroethyl)-3,4-dimethoxypyrrolidine;hydrochloride
CID 69418658

Frequently Asked Questions

What is the IUPAC name of S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine?
The IUPAC name of S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine (CID 137403857) is S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine.
What is the SMILES notation for S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine?
The canonical SMILES for S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine is CCN1CC(OC)C(SN)C1.
What is the InChIKey of S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine?
The InChIKey is OPUJLBSWUWGBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-9-4-6(10-2)7(5-9)11-8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine?
S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine has a molecular weight of 176.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-ethyl-4-methoxypyrrolidin-3-yl)thiohydroxylamine is sourced from PubChem (CID 137403857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).