N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine

C12H19NOS2 — CID 64613802

IUPACN-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
SMILESCCCNC1CCOCC1Sc1cccs1
InChIInChI=1S/C12H19NOS2/c1-2-6-13-10-5-7-14-9-11(10)16-12-4-3-8-15-12/h3-4,8,10-11,13H,2,5-7,9H2,1H3
InChIKeyBFUUDZWHUOEOBB-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.00
Rot. Bonds5

About N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine

N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine (PubChem CID 64613802) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine.

Molecular Properties

Compound NameN-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
PubChem CID64613802
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC NameN-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
SMILESCCCNC1CCOCC1Sc1cccs1
InChIInChI=1S/C12H19NOS2/c1-2-6-13-10-5-7-14-9-11(10)16-12-4-3-8-15-12/h3-4,8,10-11,13H,2,5-7,9H2,1H3
InChIKeyBFUUDZWHUOEOBB-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 62576498
3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 62576705
N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine
CID 62576706
N-(2-methoxyethyl)-3-thiophen-2-ylsulfanylpropan-1-amine
CID 62577118
2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62577525
1-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-2-amine
CID 62578157
4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
CID 62578158
2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62578159
N-(2-methoxyethyl)-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578593
N-(2-thiophen-2-ylsulfanylpropyl)pentan-3-amine
CID 62579006
N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62579007
N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62579220

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine?
The IUPAC name of N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine (CID 64613802) is N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine.
What is the SMILES notation for N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine?
The canonical SMILES for N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine is CCCNC1CCOCC1Sc1cccs1.
What is the InChIKey of N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine?
The InChIKey is BFUUDZWHUOEOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-2-6-13-10-5-7-14-9-11(10)16-12-4-3-8-15-12/h3-4,8,10-11,13H,2,5-7,9H2,1H3.
What are the key properties of N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine?
N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine has a molecular weight of 257.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine is sourced from PubChem (CID 64613802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).