N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine

C11H16BrNS2 — CID 115882068

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
SMILESBrc1ccc(CCNC2CCCSC2)s1
InChIInChI=1S/C11H16BrNS2/c12-11-4-3-10(15-11)5-6-13-9-2-1-7-14-8-9/h3-4,9,13H,1-2,5-8H2
InChIKeyCITPVJXUFWNREK-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine

N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine (PubChem CID 115882068) has the molecular formula C11H16BrNS2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
PubChem CID115882068
Molecular FormulaC11H16BrNS2
Molecular Weight306.29 g/mol
Exact Mass304.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
SMILESBrc1ccc(CCNC2CCCSC2)s1
InChIInChI=1S/C11H16BrNS2/c12-11-4-3-10(15-11)5-6-13-9-2-1-7-14-8-9/h3-4,9,13H,1-2,5-8H2
InChIKeyCITPVJXUFWNREK-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 106043015
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 106046991
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-(2-pyridin-3-ylethyl)thian-3-amine
CID 62871449
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine (CID 115882068) is N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine is Brc1ccc(CCNC2CCCSC2)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine?
The InChIKey is CITPVJXUFWNREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS2/c12-11-4-3-10(15-11)5-6-13-9-2-1-7-14-8-9/h3-4,9,13H,1-2,5-8H2.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine has a molecular weight of 306.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine is sourced from PubChem (CID 115882068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).