N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine

C10H16BrNO2S2 — CID 106723329

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCNCc1ccc(Br)s1
InChIInChI=1S/C10H16BrNO2S2/c1-2-6-16(13,14)7-5-12-8-9-3-4-10(11)15-9/h3-4,12H,2,5-8H2,1H3
InChIKeyOZJQEHPQMKIVDE-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.42
Rot. Bonds7

About N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine

N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine (PubChem CID 106723329) has the molecular formula C10H16BrNO2S2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
PubChem CID106723329
Molecular FormulaC10H16BrNO2S2
Molecular Weight326.28 g/mol
Exact Mass324.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCNCc1ccc(Br)s1
InChIInChI=1S/C10H16BrNO2S2/c1-2-6-16(13,14)7-5-12-8-9-3-4-10(11)15-9/h3-4,12H,2,5-8H2,1H3
InChIKeyOZJQEHPQMKIVDE-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.42
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-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
4-[(5-bromothiophen-2-yl)methylamino]butan-2-one
CID 115235637
3-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106011044
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide;hydrochloride
CID 91663076
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
N-[(5-bromothiophen-2-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637840
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
N-[(5-bromothiophen-2-yl)methyl]-4-iodobutan-1-amine
CID 106844681
1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
CID 47218768
N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 61484771

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine (CID 106723329) is N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine is CCCS(=O)(=O)CCNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine?
The InChIKey is OZJQEHPQMKIVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S2/c1-2-6-16(13,14)7-5-12-8-9-3-4-10(11)15-9/h3-4,12H,2,5-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine?
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine is sourced from PubChem (CID 106723329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).