2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine

C10H23NOS — CID 63856526

IUPAC2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCCSC(C)CNC(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)11-8-10(3)13-7-5-6-12-4/h9-11H,5-8H2,1-4H3
InChIKeyMSSUDILFOABIBR-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.14
Rot. Bonds8

About 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine

2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine (PubChem CID 63856526) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine
PubChem CID63856526
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCCSC(C)CNC(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)11-8-10(3)13-7-5-6-12-4/h9-11H,5-8H2,1-4H3
InChIKeyMSSUDILFOABIBR-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.14
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

2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 63857263
N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine
CID 107757036
2-(4-methoxybutylsulfanyl)propan-1-ol
CID 115687888
7-methoxy-2-methyl-N-propan-2-ylheptan-1-amine
CID 104650066
2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 62576949
N-ethyl-2-(3-methoxypropylsulfanyl)pentan-3-amine
CID 64627059
ethyl 3-(3-methoxypropylsulfanyl)butanoate
CID 63856812
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
2-(2-methoxyethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62528511
5-methoxy-2-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79436710
4-methoxy-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015723
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
CID 66129136

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine (CID 63856526) is 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine is COCCCSC(C)CNC(C)C.
What is the InChIKey of 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is MSSUDILFOABIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2)11-8-10(3)13-7-5-6-12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine?
2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63856526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).