N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine

C8H18N2S — CID 146606746

IUPACN-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine
SMILESCC(C)N1CCC(N(C)S)C1
InChIInChI=1S/C8H18N2S/c1-7(2)10-5-4-8(6-10)9(3)11/h7-8,11H,4-6H2,1-3H3
InChIKeyRELOLJSYWDGCJD-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.25
Rot. Bonds2

About N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine

N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine (PubChem CID 146606746) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine
PubChem CID146606746
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine
SMILESCC(C)N1CCC(N(C)S)C1
InChIInChI=1S/C8H18N2S/c1-7(2)10-5-4-8(6-10)9(3)11/h7-8,11H,4-6H2,1-3H3
InChIKeyRELOLJSYWDGCJD-UHFFFAOYSA-N
XLogP1.25
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,1-tri(propan-2-yl)pyrrolidin-3-amine
CID 163258645
N-methyl-N,1-di(propan-2-yl)piperidin-3-amine
CID 159984005
N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine
CID 66181848
(3R)-N-(3-fluoropropyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 168724522
N-cyclopropyl-N-methyl-1-propan-2-ylazetidin-3-amine
CID 130218648
2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 167014220
(3R)-N-ethyl-N-methyl-1-propan-2-ylpiperidin-3-amine
CID 164856684
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 65065595
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine?
The IUPAC name of N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine (CID 146606746) is N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine.
What is the SMILES notation for N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine?
The canonical SMILES for N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine is CC(C)N1CCC(N(C)S)C1.
What is the InChIKey of N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine?
The InChIKey is RELOLJSYWDGCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(2)10-5-4-8(6-10)9(3)11/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine?
N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine has a molecular weight of 174.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine is sourced from PubChem (CID 146606746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).