N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine

C10H14BrNS2 — CID 126988168

IUPACN-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine
SMILESCC1CSCC1NCc1cscc1Br
InChIInChI=1S/C10H14BrNS2/c1-7-3-13-6-10(7)12-2-8-4-14-5-9(8)11/h4-5,7,10,12H,2-3,6H2,1H3
InChIKeyVXIGPTNHVVZPLS-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.35
Rot. Bonds3

About N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine

N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine (PubChem CID 126988168) has the molecular formula C10H14BrNS2 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine
PubChem CID126988168
Molecular FormulaC10H14BrNS2
Molecular Weight292.27 g/mol
Exact Mass290.98
IUPAC NameN-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine
SMILESCC1CSCC1NCc1cscc1Br
InChIInChI=1S/C10H14BrNS2/c1-7-3-13-6-10(7)12-2-8-4-14-5-9(8)11/h4-5,7,10,12H,2-3,6H2,1H3
InChIKeyVXIGPTNHVVZPLS-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine (CID 126988168) is N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine is CC1CSCC1NCc1cscc1Br.
What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine?
The InChIKey is VXIGPTNHVVZPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS2/c1-7-3-13-6-10(7)12-2-8-4-14-5-9(8)11/h4-5,7,10,12H,2-3,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine?
N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine has a molecular weight of 292.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine is sourced from PubChem (CID 126988168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).