1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine

C7H8BrNS2 — CID 117035870

IUPAC1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine
SMILESNC1(Sc2ccc(Br)s2)CC1
InChIInChI=1S/C7H8BrNS2/c8-5-1-2-6(10-5)11-7(9)3-4-7/h1-2H,3-4,9H2
InChIKeyRTVFIPNHUMZNSV-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.05
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine

1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine (PubChem CID 117035870) has the molecular formula C7H8BrNS2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine
PubChem CID117035870
Molecular FormulaC7H8BrNS2
Molecular Weight250.19 g/mol
Exact Mass248.93
IUPAC Name1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine
SMILESNC1(Sc2ccc(Br)s2)CC1
InChIInChI=1S/C7H8BrNS2/c8-5-1-2-6(10-5)11-7(9)3-4-7/h1-2H,3-4,9H2
InChIKeyRTVFIPNHUMZNSV-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine (CID 117035870) is 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine is NC1(Sc2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine?
The InChIKey is RTVFIPNHUMZNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS2/c8-5-1-2-6(10-5)11-7(9)3-4-7/h1-2H,3-4,9H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine?
1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine has a molecular weight of 250.19 g/mol, XLogP of 3.05, 2 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)sulfanylcyclopropan-1-amine is sourced from PubChem (CID 117035870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).