N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine

C11H16BrNS2 — CID 79956952

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine
SMILESCC1SCCCC1NCc1ccc(Br)s1
InChIInChI=1S/C11H16BrNS2/c1-8-10(3-2-6-14-8)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyTUNLYYJYWKTDGQ-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.88
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine

N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine (PubChem CID 79956952) has the molecular formula C11H16BrNS2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine
PubChem CID79956952
Molecular FormulaC11H16BrNS2
Molecular Weight306.29 g/mol
Exact Mass304.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine
SMILESCC1SCCCC1NCc1ccc(Br)s1
InChIInChI=1S/C11H16BrNS2/c1-8-10(3-2-6-14-8)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyTUNLYYJYWKTDGQ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907544
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]-4-chlorooxolan-3-amine
CID 131165706
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
1-[(3R,4R)-4-[(5-bromothiophen-2-yl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093544
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine (CID 79956952) is N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine is CC1SCCCC1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine?
The InChIKey is TUNLYYJYWKTDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS2/c1-8-10(3-2-6-14-8)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine?
N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine has a molecular weight of 306.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine is sourced from PubChem (CID 79956952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).