5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine

C12H25NOS — CID 105190189

IUPAC5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine
SMILESCNC(CCCOC)CC1CCSCC1
InChIInChI=1S/C12H25NOS/c1-13-12(4-3-7-14-2)10-11-5-8-15-9-6-11/h11-13H,3-10H2,1-2H3
InChIKeyYNOQDYRTYCSBDF-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.53
Rot. Bonds7

About 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine

5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine (PubChem CID 105190189) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine
PubChem CID105190189
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine
SMILESCNC(CCCOC)CC1CCSCC1
InChIInChI=1S/C12H25NOS/c1-13-12(4-3-7-14-2)10-11-5-8-15-9-6-11/h11-13H,3-10H2,1-2H3
InChIKeyYNOQDYRTYCSBDF-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
CID 105190341
N-methyl-1-(thian-4-yl)non-8-en-2-amine
CID 107011659
5-methoxy-N-methyl-1-(oxolan-3-yl)pentan-2-amine
CID 114856903
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955
1-cyclobutyl-5-ethoxy-N-methylpentan-2-amine
CID 105151604
1-cyclohexyl-5-ethoxy-N-methylpentan-2-amine
CID 105135620
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
1-methoxy-N,6-dimethylheptan-4-amine
CID 62601315
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine (CID 105190189) is 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine is CNC(CCCOC)CC1CCSCC1.
What is the InChIKey of 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine?
The InChIKey is YNOQDYRTYCSBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-13-12(4-3-7-14-2)10-11-5-8-15-9-6-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine?
5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine is sourced from PubChem (CID 105190189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).