1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine

C13H21NOS2 — CID 62995172

IUPAC1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(SC1CCOCC1)c1cccs1
InChIInChI=1S/C13H21NOS2/c1-2-11(14)13(12-4-3-9-16-12)17-10-5-7-15-8-6-10/h3-4,9-11,13H,2,5-8,14H2,1H3
InChIKeyNTEQEEHYCRCQSC-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.44
Rot. Bonds5

About 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine

1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine (PubChem CID 62995172) has the molecular formula C13H21NOS2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine
PubChem CID62995172
Molecular FormulaC13H21NOS2
Molecular Weight271.45 g/mol
Exact Mass271.11
IUPAC Name1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(SC1CCOCC1)c1cccs1
InChIInChI=1S/C13H21NOS2/c1-2-11(14)13(12-4-3-9-16-12)17-10-5-7-15-8-6-10/h3-4,9-11,13H,2,5-8,14H2,1H3
InChIKeyNTEQEEHYCRCQSC-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-1-(oxan-4-ylsulfanyl)butan-2-amine
CID 62997494
1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021106
1-(3-methylthiophen-2-yl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325828
1-(4-ethylpiperidin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021620
3-(2-amino-1-thiophen-2-ylbutyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62884252
1-(2,5-dichlorophenyl)sulfanyl-1-thiophen-2-ylbutan-2-amine
CID 55222456
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
1-(2-fluorophenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325822
1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
CID 63955105
(S)-oxan-4-yl(thiophen-2-yl)methanol
CID 129368530
1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325944
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine (CID 62995172) is 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(SC1CCOCC1)c1cccs1.
What is the InChIKey of 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is NTEQEEHYCRCQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS2/c1-2-11(14)13(12-4-3-9-16-12)17-10-5-7-15-8-6-10/h3-4,9-11,13H,2,5-8,14H2,1H3.
What are the key properties of 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine?
1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 271.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 62995172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).