N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine

C10H20N2OS — CID 90898256

IUPACN-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine
SMILESCN(S)CC12COCC1(C)CN(C)C2
InChIInChI=1S/C10H20N2OS/c1-9-4-11(2)5-10(9,6-12(3)14)8-13-7-9/h14H,4-8H2,1-3H3
InChIKeySSNCBRDUWUEMHJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.73
Rot. Bonds2

About N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine

N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine (PubChem CID 90898256) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine
PubChem CID90898256
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine
SMILESCN(S)CC12COCC1(C)CN(C)C2
InChIInChI=1S/C10H20N2OS/c1-9-4-11(2)5-10(9,6-12(3)14)8-13-7-9/h14H,4-8H2,1-3H3
InChIKeySSNCBRDUWUEMHJ-UHFFFAOYSA-N
XLogP0.73
TPSA15.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

rac-{[(3aR,6aS)-hexahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl}dimethylamine
CID 137963733
N,N-Dimethyl-1-(tetrahydro-1H-furo[3,4-c]pyrrol-3a(3H)-yl)methanamine
CID 19960995
5-Butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 21518549
N,N-dimethyl-1-(5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methanamine
CID 53954450
3a,6a-Bis(methoxymethyl)-5-methyl-2,5-bis(sulfanyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-ium
CID 91330720
(3aR)-3a,5-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 126703135
[(3aS,6aS)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
CID 129230054
[(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
CID 129230065
(5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methanamine
CID 129230393
(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methanamine
CID 129231154
[(3aS,6aS)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
CID 129231198
[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanamine
CID 129231199

Frequently Asked Questions

What is the IUPAC name of N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine?
The IUPAC name of N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine (CID 90898256) is N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine.
What is the SMILES notation for N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine?
The canonical SMILES for N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine is CN(S)CC12COCC1(C)CN(C)C2.
What is the InChIKey of N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine?
The InChIKey is SSNCBRDUWUEMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-9-4-11(2)5-10(9,6-12(3)14)8-13-7-9/h14H,4-8H2,1-3H3.
What are the key properties of N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine?
N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine has a molecular weight of 216.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-3a-yl)methyl]-N-methylthiohydroxylamine is sourced from PubChem (CID 90898256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).