N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine

C11H19NOS2 — CID 62579220

IUPACN-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCOCCCNCC(C)Sc1cccs1
InChIInChI=1S/C11H19NOS2/c1-10(9-12-6-4-7-13-2)15-11-5-3-8-14-11/h3,5,8,10,12H,4,6-7,9H2,1-2H3
InChIKeyCQULKHOIJKQBKI-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.85
Rot. Bonds8

About N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine

N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine (PubChem CID 62579220) has the molecular formula C11H19NOS2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
PubChem CID62579220
Molecular FormulaC11H19NOS2
Molecular Weight245.41 g/mol
Exact Mass245.09
IUPAC NameN-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCOCCCNCC(C)Sc1cccs1
InChIInChI=1S/C11H19NOS2/c1-10(9-12-6-4-7-13-2)15-11-5-3-8-14-11/h3,5,8,10,12H,4,6-7,9H2,1-2H3
InChIKeyCQULKHOIJKQBKI-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(thiophen-2-ylthio)propyl)acetamide
CID 58169495
N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 61385802
N-(thiophen-2-ylsulfanylmethyl)propan-1-amine
CID 66909473
2-[2,3-dihydrothiophen-5-yl(thiophen-2-yl)boranyl]oxy-N-methylethanamine
CID 68321342
N-ethylethanamine;formamide;thiophene
CID 174643936
Morpholine;propane;thiophene
CID 174785720
2,6-Dimethylmorpholine;thiophene
CID 174922010
4-(Ethylamino)butan-2-ol;thiophene
CID 175081184
4-(Methylamino)butan-2-ol;thiophene
CID 175349022
1-(Prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
CID 2777763
diethyl-[(2S)-2-hydroxy-3-thiophen-2-ylsulfanylpropyl]azanium
CID 6932302
[(2S)-2-hydroxy-3-thiophen-2-ylsulfanylpropyl]-prop-2-enylazanium
CID 7004666

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine (CID 62579220) is N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine is COCCCNCC(C)Sc1cccs1.
What is the InChIKey of N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
The InChIKey is CQULKHOIJKQBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS2/c1-10(9-12-6-4-7-13-2)15-11-5-3-8-14-11/h3,5,8,10,12H,4,6-7,9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine?
N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 62579220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).