N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine

C11H16BrNS2 — CID 107167565

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1cc(Br)cs1
InChIInChI=1S/C11H16BrNS2/c1-8(11-6-9(12)7-15-11)13-10-2-4-14-5-3-10/h6-8,10,13H,2-5H2,1H3
InChIKeyCNQCPIFLQKCYAB-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.06
Rot. Bonds3

About N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine

N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine (PubChem CID 107167565) has the molecular formula C11H16BrNS2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
PubChem CID107167565
Molecular FormulaC11H16BrNS2
Molecular Weight306.29 g/mol
Exact Mass304.99
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1cc(Br)cs1
InChIInChI=1S/C11H16BrNS2/c1-8(11-6-9(12)7-15-11)13-10-2-4-14-5-3-10/h6-8,10,13H,2-5H2,1H3
InChIKeyCNQCPIFLQKCYAB-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 107167172
N-[1-(4-bromothiophen-2-yl)ethyl]-2,2-diethyloxan-4-amine
CID 107167625
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-bromothiophen-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 107167577
1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
CID 82307094
N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 107354397
N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 107354146
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine (CID 107167565) is N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine is CC(NC1CCSCC1)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine?
The InChIKey is CNQCPIFLQKCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS2/c1-8(11-6-9(12)7-15-11)13-10-2-4-14-5-3-10/h6-8,10,13H,2-5H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine has a molecular weight of 306.29 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine is sourced from PubChem (CID 107167565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).