2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine

C8H19NOS — CID 63857263

IUPAC2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
SMILESCNCC(C)SCCCOC
InChIInChI=1S/C8H19NOS/c1-8(7-9-2)11-6-4-5-10-3/h8-9H,4-7H2,1-3H3
InChIKeyKKRZYOJWBVLVLJ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.36
Rot. Bonds7

About 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine

2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine (PubChem CID 63857263) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
PubChem CID63857263
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
SMILESCNCC(C)SCCCOC
InChIInChI=1S/C8H19NOS/c1-8(7-9-2)11-6-4-5-10-3/h8-9H,4-7H2,1-3H3
InChIKeyKKRZYOJWBVLVLJ-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.36
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-propan-2-ylpropan-1-amine
CID 63856526
N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine
CID 107757036
2-(4-methoxybutylsulfanyl)propan-1-ol
CID 115687888
1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol
CID 63855931
ethyl 3-(3-methoxypropylsulfanyl)butanoate
CID 63856812
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
N-ethyl-2-(3-methoxypropylsulfanyl)pentan-3-amine
CID 64627059
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
CID 66129136
3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine
CID 79409479
3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol
CID 64899616
N-[2-(2-methoxyethylsulfanyl)propyl]aniline
CID 62577596
4,4,4-trifluoro-3-(3-methoxypropylsulfanyl)butan-2-amine
CID 63856103

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine (CID 63857263) is 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine is CNCC(C)SCCCOC.
What is the InChIKey of 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
The InChIKey is KKRZYOJWBVLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(7-9-2)11-6-4-5-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63857263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).