1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine

C8H12BrNS2 — CID 66217511

IUPAC1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS2/c1-6(10)4-11-5-7-2-3-8(9)12-7/h2-3,6H,4-5,10H2,1H3
InChIKeyDQVFAZWVNHNTAZ-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.09
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine

1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine (PubChem CID 66217511) has the molecular formula C8H12BrNS2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine
PubChem CID66217511
Molecular FormulaC8H12BrNS2
Molecular Weight266.23 g/mol
Exact Mass264.96
IUPAC Name1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS2/c1-6(10)4-11-5-7-2-3-8(9)12-7/h2-3,6H,4-5,10H2,1H3
InChIKeyDQVFAZWVNHNTAZ-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
2-(2-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66220672
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
3-[(5-bromothiophen-2-yl)methylsulfanyl]butan-1-amine
CID 66229801
2-bromo-5-(prop-2-ynylsulfanylmethyl)thiophene
CID 130638425
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66224951
4-[(5-chlorothiophen-2-yl)methylsulfanyl]butan-2-amine
CID 66233246
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983195
2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine
CID 83934966
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine (CID 66217511) is 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine is CC(N)CSCc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine?
The InChIKey is DQVFAZWVNHNTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS2/c1-6(10)4-11-5-7-2-3-8(9)12-7/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine?
1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine has a molecular weight of 266.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 66217511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).